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Featured
AutoDock Vina Extended

Free trial

10486
962
12

Dock thousands of ligands into proteins and rank them with this extended version of AutoDock Vina.

Molecular Cycles

Included with all plans

Make studio-quality visuals and animations with Cycles, the Blender renderer.

NMR2

Free trial

400
6
1

Compute structures of protein-ligand complexes using NMR data.

Protein Structure Prediction

Included with all plans

Predict protein structures from sequences using AlphaFold, ESMFold, OpenFold and NVIDIA BioNeMo services.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

Life science
ARAP Interpolator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1693
228
3

Generate paths between two protein conformations within a few seconds thanks to ARAP interpolation.

AutoDock Vina Extended

Free trial

10486
962
12

Dock thousands of ligands into proteins and rank them with this extended version of AutoDock Vina.

Batch Protein Prepare
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1056
67
1

Prepare proteins in a batch: remove alt. locations, water, ligands, ions, add hydrogens.

Conformer Creator

Free trial

1920
113
2

Compute low-energy conformers of small molecules.

FITTED Suite

Free trial

12938
48
2

Perform covalent and non-covalent protein-ligand docking with the FITTED Suite by Molecular Forecaster

Glycans
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1653
50
3

Build glycans using a library of monosaccharides

GROMACS interaction models

Free trial

2091
675
3

Perform interactive simulations with GROMACS force fields.

GROMACS Wizard

Free trial

6812
530
6

Prepare, minimize, equilibrate, and simulate systems using GROMACS on your computer or in the cloud.

Hex

Free trial

2414
38
8

Perform protein-protein docking.

Hydrogen Bond Finder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2350
857
5

Find and visualize hydrogen bonds.

IM-UFF

Free trial

1682
117
4

Simulate molecular systems using this generalized, Interactive-Modeling version of the Universal Force Field capable of automatic bond creation and br...

Interactive Ramachandran Plot
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2223
750
2

Display Ramachandran diagram of selected residues. Move a residue on the plot and see the effect it has on the protein.

iSafeRat MechoA
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1984
346
3

Predict mechanisms of toxic action of molecules.

Ligand Path Finder

Free trial

2494
95
4

Find ligand unbinding pathways from a protein within minutes.

MMTF Importer

Included with all plans

Importer for the macromolecular transmission format (MMTF) files (*.mmtf).

Molecular Box Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1555
58
3

Construct systems by filling a box with molecules.

NMR2

Free trial

400
6
1

Compute structures of protein-ligand complexes using NMR data.

Normal Modes Advanced

Free trial

1710
70
3

Compute nonlinear normal modes that open and close binding pockets of proteins.

Normal Modes Analysis
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1845
482
1

Compute the nonlinear normal modes of a molecular system (protein, RNA, DNA) very quickly using the NOLB algorithm developed by Alexandre Hoffmann and...

PDBx/mmCIF Importer

Included with all plans

Importer for the PDBx/mmCIF file format.

Pepsi-SAXS

Free trial

1779
68
1

Rapidly compute small-angle X-ray scattering profiles.

Protein Aligner
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2108
645
5

Align multiple sequences and structures of proteins.

Protein Path Finder

Free trial

1737
54
5

Find protein conformational transition paths within minutes.

Protein Structure Downloader

Included with all plans

Fetch structures from the RCSB Protein Data Bank and the AlphaFold Protein Structure Database.

Protein Structure Prediction

Included with all plans

Predict protein structures from sequences using AlphaFold, ESMFold, OpenFold and NVIDIA BioNeMo services.

Protein-Ligand Interaction Analyzer
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2681
296
5

Analyze protein-ligand interactions

Rotamers editor
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1585
149
5

Modify an amino acid residue into its rotamer or mutate it into an amino acid residue of a different type.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

SMILES Manager

Free trial

2384
173
4

Import thousands of SMILES codes. Filter them using custom patterns. Modify them and generate their corresponding 2D image. Add them to the SAMSON Doc...

Structure validation

Included with all plans

Validate biological structures and prepare them for further calculations.

Symmetry Detection
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1341
297
2

Detect axes of cyclic, dihedral and cubic symmetries in protein complexes.

Symmetry Mate Editor
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1575
240
2

Interactively generate symmetry mates of a protein based on the crystallographic information from a pdb file.

Machine learning and AI
Protein Structure Prediction

Included with all plans

Predict protein structures from sequences using AlphaFold, ESMFold, OpenFold and NVIDIA BioNeMo services.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

Materials science
Bond Angle Distribution
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1212
357
1

Compute the bond angle distribution of the selected atoms.

Bond Distortion Visualisation
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1364
376
1

Visualize the angle, bond, and projected bond distortions of a molecular or crystalic structure.

Brenner interaction model

Free trial

2779
1374
3

Perform interactive simulations of carbon nanotubes, graphene and hydrocarbon systems. Build complex geometries thanks to this reactive force field.

Conformer Creator

Free trial

1920
113
2

Compute low-energy conformers of small molecules.

Crystal Creator

Free trial

2745
364
5

Generate crystal models in a few clicks. Describe unit cells, import CIF files, model defects and impurities. Cut crystals.

Graphene Image Analyzer

Free trial

1475
100
3

Build a graphene model from a TEM image

Graphene Sheet Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2456
1771
5

Create a graphene sheet in one click.

IM-UFF

Free trial

1682
117
4

Simulate molecular systems using this generalized, Interactive-Modeling version of the Universal Force Field capable of automatic bond creation and br...

Molecular Box Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1555
58
3

Construct systems by filling a box with molecules.

Molecular Motif Grafter
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
749
29
1

Place molecules on a surface

Nanotube Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
3550
1688
5

Create a carbon nanotube (CNT) in just two clicks.

P-NEB
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2079
214
1

Use a parallel implementation of the nudged elastic band (NEB) method to find saddle points and minimum-energy paths.

Polymer Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1296
56
1

Construct polymers out of various building blocks (monomers and their sequences).

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

TMD Image Analyzer

Free trial

1980
26
5

Construct transition metal dichalcogenide monolayers from experimental images.

Twister

Included with all plans

Perform large-scale deformations of materials and biomolecules interactively with this powerful editor.

Computational chemistry
Adaptive Lennard-Jones
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1501
466
1

Simulate with an adaptive version of the Lennard-Jones potential.

Brenner interaction model

Free trial

2779
1374
3

Perform interactive simulations of carbon nanotubes, graphene and hydrocarbon systems. Build complex geometries thanks to this reactive force field.

Conformer Creator

Free trial

1920
113
2

Compute low-energy conformers of small molecules.

FIRE state updater
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1691
715
2

Optimize molecular structures with FIRE.

GROMACS Wizard

Free trial

6812
530
6

Prepare, minimize, equilibrate, and simulate systems using GROMACS on your computer or in the cloud.

iSafeRat MechoA
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1984
346
3

Predict mechanisms of toxic action of molecules.

Lennard-Jones model
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1473
1098
1

The Lennard-Jones interaction model.

P-NEB
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2079
214
1

Use a parallel implementation of the nudged elastic band (NEB) method to find saddle points and minimum-energy paths.

SMILES Manager

Free trial

2384
173
4

Import thousands of SMILES codes. Filter them using custom patterns. Modify them and generate their corresponding 2D image. Add them to the SAMSON Doc...

State Updaters Collection

Included with all plans

A collection of state updaters used for interactive minimization simulation.

Universal force field

Included with all plans

Simulate molecular systems using the Universal Force Field (UFF) with automatic structure perception.

Physics and nanotechnology
Brenner interaction model

Free trial

2779
1374
3

Perform interactive simulations of carbon nanotubes, graphene and hydrocarbon systems. Build complex geometries thanks to this reactive force field.

Graphene Image Analyzer

Free trial

1475
100
3

Build a graphene model from a TEM image

Graphene Sheet Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2456
1771
5

Create a graphene sheet in one click.

Molecular Box Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1555
58
3

Construct systems by filling a box with molecules.

Molecular Motif Grafter
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
749
29
1

Place molecules on a surface

Nanotube Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
3550
1688
5

Create a carbon nanotube (CNT) in just two clicks.

TMD Image Analyzer

Free trial

1980
26
5

Construct transition metal dichalcogenide monolayers from experimental images.

Teaching and learning
Cluster Game
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1521
351
3

A game where you build optimal assemblies of interacting atoms.

Discovering Alkanes
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1525
144
3

A game where you search and build molecules.

Documentation Links

Included with all plans

Preview and access the User guide pages directly from SAMSON.

Interactive Tutorials

Included with all plans

Learn molecular design with SAMSON thanks to these interactive, step-by-step tutorials.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

Virtual Reality Portal
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2295
228
4

Visualize, build and simulate in virtual reality.

Visualization and rendering
Animation Toolkit

Included with all plans

Rapidly create advanced molecular animations with these thirty-two animation templates.

Bond Angle Distribution
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1212
357
1

Compute the bond angle distribution of the selected atoms.

Bond Distortion Visualisation
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1364
376
1

Visualize the angle, bond, and projected bond distortions of a molecular or crystalic structure.

glTF Importer and Exporter

In Professional and Enterprise plans

Import and export 3D models in glTF format.

Glycans Visual Models

Included with all plans

Visualize glycans with the 3D Symbol Nomenclature for Glycans (SNFG) representation.

Image Loader

Included with all plans

Load images as visual models or meshes to include them in visualizations and presentations, or to help you construct structures.

Molecular Cycles

Included with all plans

Make studio-quality visuals and animations with Cycles, the Blender renderer.

Movie Exporters

Included with all plans

Export animations and presentations as movies in GIF, MP4, and WEBM formats.

Pathlines
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1712
265
2

Visualize paths of a set of atoms.

Polyhedral visual model

Included with all plans

Visualize MOFs and crystals with Polyhedrons

STL Importer

Included with all plans

Import Stereolithography (.stl) binary and ASCII files to display them and generate carbon atoms based on vertices positions.

Virtual Reality Portal
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2295
228
4

Visualize, build and simulate in virtual reality.

Visual Models Collection

Included with all plans

Visualize molecular structures using a collection of representations and color schemes.

Visual Presets

Included with all plans

A collection of visual presets to rapidly create publication-quality images.

Molecular modeling and editing
Assets Collection

Included with all plans

A collection of various assets that can be used to build molecular systems.

Atoms Selector
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1276
419
1

Select atoms based on expressions with NSL-like variables, standard mathematical and logical operations.

Commands Collection

Included with all plans

A collection of commands that constitute menus and allow you to perform tasks.

Crystal Creator

Free trial

2745
364
5

Generate crystal models in a few clicks. Describe unit cells, import CIF files, model defects and impurities. Cut crystals.

Editors Collection

Included with all plans

A collection of editors to build, modify, move, measure, and label molecular systems.

FIRE state updater
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1691
715
2

Optimize molecular structures with FIRE.

Graphene Sheet Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2456
1771
5

Create a graphene sheet in one click.

IM-UFF

Free trial

1682
117
4

Simulate molecular systems using this generalized, Interactive-Modeling version of the Universal Force Field capable of automatic bond creation and br...

Molecular Box Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1555
58
3

Construct systems by filling a box with molecules.

Molecular Motif Grafter
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
749
29
1

Place molecules on a surface

Nanotube Creator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
3550
1688
5

Create a carbon nanotube (CNT) in just two clicks.

Polymer Builder
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1296
56
1

Construct polymers out of various building blocks (monomers and their sequences).

Rotamers editor
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1585
149
5

Modify an amino acid residue into its rotamer or mutate it into an amino acid residue of a different type.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

Selection statistics
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1038
254
1

Basic geometry and concentration statistics for the selected atoms.

Selectors Collection

Included with all plans

A collection of selectors used across various commands, visual presets, and extensions.

Structure validation

Included with all plans

Validate biological structures and prepare them for further calculations.

Twister

Included with all plans

Perform large-scale deformations of materials and biomolecules interactively with this powerful editor.

Workspaces Collection

Included with all plans

A collection of workspaces that customize the SAMSON interface.

Scripting and development
Code Editor

Included with all plans

Develop using the Monaco Editor.

Exposed functionality viewer
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1141
75
2

View the exposed functionality of SAMSON Extensions

Log Viewer
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1297
258
3

Want to check logs and outputs? This extension redirects C/C++ standard streams and Qt messages.

Python Scripting

Included with all plans

Script SAMSON using Python. Model and simulate from scripts. Pipeline calculations. Integrate Python packages for machine learning and more.

SAMSON AI ✨

Included with all plans

Your next-generation modeling assistant.

SAMSON Extension Generator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
2036
297
4

Want to create a SAMSON Extension ? Generate source code from a template in a few clicks and start developing.

SAMSON Extension Packager
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1372
217
3

Package and validate a SAMSON Extension you developed to publish it on SAMSON Connect.

Simple Script
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1637
289
1

Modify atoms' parameters (position, selection, etc) using a simple scripting language, NSL-like variables, mathematical and logical operations.

UUID Generator
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1759
204
1

Generate UUIDs directly from SAMSON in one click.

Data conversion and exchange
Export along paths
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1417
266
1

Export atoms along paths in PDB files.

Exporters Collection

Included with all plans

A collection of exporters for the GRO, MOL2, PDB, and XYZ formats.

glTF Importer and Exporter

In Professional and Enterprise plans

Import and export 3D models in glTF format.

Gzip Importer

Included with all plans

Importer for gzipped (.gz) files of already supported formats (e.g., .pdb.gz).

Image Loader

Included with all plans

Load images as visual models or meshes to include them in visualizations and presentations, or to help you construct structures.

Importers Collection

Included with all plans

A collection of importers for the CML, GRO, MOL, MOL2, PDB, SD, SDF, and XYZ formats

MMTF Importer

Included with all plans

Importer for the macromolecular transmission format (MMTF) files (*.mmtf).

Movie Exporters

Included with all plans

Export animations and presentations as movies in GIF, MP4, and WEBM formats.

OBJ Exporter

In Professional and Enterprise plans

Export molecular structures, visual models and surfaces to OBJ - including their colors - to import them in 3D animation software, or even PowerPoint™...

OBJ Importer

Included with all plans

Import OBJ files into SAMSON.

PDB trajectory loader
This extension is free.

A Professional plan or above is required to
use more than one free extension at a time.
1643
313
1

Create a trajectory (path) based on a series of PDB files.

PDBx/mmCIF Importer

Included with all plans

Importer for the PDBx/mmCIF file format.

STL Importer

Included with all plans

Import Stereolithography (.stl) binary and ASCII files to display them and generate carbon atoms based on vertices positions.

Trajectory Importers

Included with all plans

Import and export molecular dynamics trajectories in various formats.