volume calculation and segmentation
☆39May 20, 2024Updated 2 years ago
Alternatives and similar repositories for pyvol
Users that are interested in pyvol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A pocket volume analyzer for use in protein modeling.☆62Oct 2, 2022Updated 3 years ago
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆14Jun 25, 2026Updated 3 weeks ago
- ☆32Apr 18, 2025Updated last year
- python API for rowan☆20Updated this week
- ☆10Dec 4, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Pymol ScrIpt COllection (PSICO)☆66Mar 13, 2026Updated 4 months ago
- Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.☆15May 29, 2019Updated 7 years ago
- ☆12Apr 21, 2026Updated 3 months ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- ☆14May 15, 2024Updated 2 years ago
- 📐 Symmetry-corrected RMSD in Python☆118Jun 22, 2026Updated last month
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆69Apr 16, 2021Updated 5 years ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years 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.
- ☆100Aug 23, 2024Updated last year
- A Python tool for creating and downsampling chemical pointclouds.☆13Apr 18, 2025Updated last year
- Clusters protein chains based on CA distance difference☆18Jun 5, 2026Updated last month
- Protein and nucleic acid validation service☆98Mar 7, 2024Updated 2 years ago
- pyKVFinder: Python-C parallel KVFinder☆39Jul 10, 2026Updated last week
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆15Jun 23, 2020Updated 6 years ago
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Dec 3, 2024Updated last year
- Flexible Artificial Intelligence Docking☆19Aug 27, 2025Updated 10 months ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 9 years ago
- ☆51Jun 17, 2026Updated last month
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆21Oct 31, 2019Updated 6 years ago
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆34Jun 3, 2025Updated last year
- ☆105Feb 15, 2024Updated 2 years ago
- ☆13Oct 10, 2024Updated last year
- mmCIF-based extension dictionary for computed structure models☆24Feb 5, 2026Updated 5 months ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 7 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- This package contains tools for setting up hybrid-topology FE calculations☆38Jul 14, 2026Updated last week
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Updated this week
- ☆30Apr 2, 2026Updated 3 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆65Aug 2, 2025Updated 11 months ago
- JupyterLab extension for py3Dmol☆23Jan 2, 2022Updated 4 years ago
- Uni-Dock: a GPU-accelerated molecular docking program☆303Updated this week
- ☆12Sep 17, 2024Updated last year