Electrostatics / apbs-pdb2pqrView external linksLinks
APBS - software for biomolecular electrostatics and solvation
☆132Jul 27, 2020Updated 5 years ago
Alternatives and similar repositories for apbs-pdb2pqr
Users that are interested in apbs-pdb2pqr are comparing it to the libraries listed below
Sorting:
- Data files for the molecular modelling course☆13Jan 26, 2024Updated 2 years ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆334Jan 25, 2026Updated 3 weeks ago
- Pymol ScrIpt COllection (PSICO)☆64Jan 21, 2026Updated 3 weeks ago
- An experimental package for deep learning for molecular docking☆21Mar 21, 2020Updated 5 years ago
- Collected scripts for Pymol☆511Feb 7, 2026Updated last week
- Fast PBC wrapping and unwrapping for VMD☆24Nov 25, 2024Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆67Feb 1, 2024Updated 2 years ago
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆83Feb 28, 2025Updated 11 months ago
- AutoDock for GPUs and other accelerators☆562Dec 18, 2025Updated last month
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆135May 24, 2024Updated last year
- PCA and normal mode analysis of proteins☆20May 16, 2024Updated last year
- Flexible Artificial Intelligence Docking☆17Aug 27, 2025Updated 5 months ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- interactive SDF Viewer presented originally at the RDKit UGM 2014☆22Jun 23, 2017Updated 8 years ago
- ☆16Apr 10, 2019Updated 6 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆644Oct 30, 2025Updated 3 months ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- A Python Package for Protein Dynamics Analysis☆526Updated this week
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 weeks ago
- Use UCSF Chimera Python API in a standard interpreter☆59Mar 28, 2019Updated 6 years ago
- Dynamics PyMOL Plugin☆47Apr 19, 2024Updated last year
- Analysis of non-covalent interactions in MD trajectories☆66Jan 3, 2025Updated last year
- HTMD: Programming Environment for Molecular Discovery☆272Nov 27, 2025Updated 2 months ago
- Python interface of cpptraj☆188Jan 20, 2026Updated 3 weeks ago
- the simple alchemistry library☆234Jan 23, 2026Updated 3 weeks ago
- Jupyter widget to interactively view molecular structures and trajectories☆912Feb 2, 2026Updated last week
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆193Jul 6, 2023Updated 2 years ago
- Development version of plumed 2☆480Jan 22, 2026Updated 3 weeks ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- R scripts used for MYC analyses☆10Jan 30, 2018Updated 8 years ago
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 8 years ago
- Installable VMD as a python module☆148Jun 10, 2025Updated 8 months ago
- A Python API for the RCSB Protein Data Bank (PDB)☆334Jun 4, 2025Updated 8 months ago
- LiveCoMS GROMACS Tutorials Paper☆138Jun 28, 2019Updated 6 years ago
- Library for reading and writing chemistry files☆190Jan 23, 2026Updated 3 weeks ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Oct 10, 2019Updated 6 years ago