Open-source foundation of the user-sponsored PyMOL molecular visualization system.
☆1,598Feb 24, 2026Updated last week
Alternatives and similar repositories for pymol-open-source
Users that are interested in pymol-open-source are comparing it to the libraries listed below
Sorting:
- Collected scripts for Pymol☆515Feb 7, 2026Updated 3 weeks ago
- AutoDock Vina☆924Updated this week
- PDBFixer fixes problems in PDB files☆626Oct 30, 2025Updated 4 months ago
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,284Mar 4, 2025Updated 11 months ago
- AutoDock for GPUs and other accelerators☆566Feb 24, 2026Updated last week
- Making Protein folding accessible to all!☆2,641Feb 11, 2026Updated 2 weeks ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,803Feb 24, 2026Updated last week
- The official sources for the RDKit library☆3,310Feb 23, 2026Updated last week
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆649Oct 30, 2025Updated 4 months ago
- A Python Package for Protein Dynamics Analysis☆529Feb 13, 2026Updated 2 weeks ago
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,540Feb 19, 2026Updated last week
- An open library for the analysis of molecular dynamics trajectories☆701Updated this week
- A deep learning framework for molecular docking☆860Dec 23, 2025Updated 2 months ago
- A dependency-free cross-platform swiss army knife for PDB files.☆444Feb 3, 2026Updated last month
- A comprehensive macromolecular library☆901Feb 22, 2026Updated last week
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆380Sep 16, 2025Updated 5 months ago
- Jupyter widget to interactively view molecular structures and trajectories☆913Feb 2, 2026Updated last month
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆337Updated this week
- Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2☆3,279Dec 16, 2025Updated 2 months ago
- Remote protein homology detection suite.☆615Aug 12, 2025Updated 6 months ago
- MMseqs2: ultra fast and sensitive search and clustering suite☆1,982Feb 21, 2026Updated last week
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆731Jun 19, 2024Updated last year
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆383Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆350Jan 6, 2026Updated last month
- Foldseek enables fast and sensitive comparisons of large structure sets.☆1,169Feb 21, 2026Updated last week
- A Python API for the RCSB Protein Data Bank (PDB)☆334Jun 4, 2025Updated 8 months ago
- Python interface of cpptraj☆188Jan 20, 2026Updated last month
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Oct 10, 2019Updated 6 years ago
- Evolutionary Scale Modeling (esm): Pretrained language models for proteins☆3,982Feb 7, 2024Updated 2 years ago
- Open source code for AlphaFold 2.☆14,290Jan 15, 2026Updated last month
- Official git repository for Biopython (originally converted from CVS)☆4,911Feb 25, 2026Updated last week
- Code for the ProteinMPNN paper☆1,636Aug 14, 2024Updated last year
- Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…☆870Updated this week
- A comprehensive library for computational molecular biology☆931Updated this week
- This package contains deep learning models and related scripts for RoseTTAFold☆2,230Feb 15, 2024Updated 2 years ago
- Parameter/topology editor and molecular simulator☆448Jan 12, 2026Updated last month
- ☆793May 27, 2025Updated 9 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆315Jan 7, 2026Updated last month
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆686Jan 7, 2026Updated last month