Software for biomolecular electrostatics and solvation calculations
☆139Sep 7, 2024Updated last year
Alternatives and similar repositories for apbs
Users that are interested in apbs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆175Apr 26, 2026Updated 4 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆406Aug 3, 2026Updated 3 weeks ago
- ☆12Aug 26, 2024Updated 2 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆46Jul 23, 2023Updated 3 years ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆23Feb 23, 2026Updated 6 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆325Jul 31, 2026Updated last month
- A dependency-free cross-platform swiss army knife for PDB files.☆457Jun 10, 2026Updated 2 months ago
- PDBFixer fixes problems in PDB files☆672Mar 10, 2026Updated 5 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆380Jul 31, 2026Updated last month
- Collected scripts for Pymol☆533Mar 1, 2026Updated 5 months ago
- An interoperable Python framework for biomolecular simulation.☆169Updated this week
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- Reduce - tool for adding and correcting hydrogens in PDB files☆184Jan 5, 2026Updated 7 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆423Feb 26, 2026Updated 6 months ago
- An open-source platform for developing protein models beyond AlphaFold.☆422Jun 26, 2024Updated 2 years ago
- AutoDock Vina☆1,064Aug 11, 2026Updated 3 weeks ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆772Jun 19, 2024Updated 2 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆47May 3, 2021Updated 5 years ago
- The OpenMM Cookbook and Tutorials☆60Aug 21, 2026Updated last week
- Some scripts that I keep using over and over.☆21Jul 5, 2025Updated last year
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 6 years ago
- Python interface of cpptraj☆191Mar 6, 2026Updated 5 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- KA-Search: Rapid and exhaustive sequence identity search of known antibodies☆23Jul 9, 2024Updated 2 years ago
- ☆27Dec 6, 2022Updated 3 years ago
- Masif seed paper repository☆174Sep 22, 2025Updated 11 months ago
- C-library for calculating Solvent Accessible Surface Areas☆205May 31, 2026Updated 3 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Oct 24, 2023Updated 2 years ago
- A Python Package for Protein Dynamics Analysis☆554Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆379Aug 5, 2026Updated 3 weeks ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆261May 20, 2026Updated 3 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆240Dec 29, 2023Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆99Aug 29, 2023Updated 3 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆458Updated this week
- OmegaFold Release Code☆627Dec 12, 2022Updated 3 years ago
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 3 years ago
- Humanness of de-novo designed proteins☆47May 19, 2025Updated last year
- Parametric Building of de novo Functional Topologies☆46Mar 11, 2022Updated 4 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆712Jul 3, 2026Updated last month