☆13Mar 21, 2021Updated 5 years ago
Alternatives and similar repositories for gromax
Users that are interested in gromax are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Oct 31, 2025Updated 10 months ago
- Gromacs topology template generator☆16Jul 15, 2021Updated 5 years ago
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 4 months ago
- MSU ProFlex (formerly called FIRST) predicts the rigid and flexible regions in a protein structure, given a Protein Data Bank (PDB) file …☆10Apr 16, 2022Updated 4 years ago
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python/TF1 implementation of DeepAccNet (https://www.biorxiv.org/content/10.1101/2020.07.17.209643v1)☆10Sep 2, 2020Updated 6 years ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated 2 years ago
- Command-line tools for protein structure analysis: convert PDB, mmCIF, PDBML, or XYZR files into atomic sphere data, then compute volumes…☆15Jul 25, 2026Updated 2 months ago
- Tachyon library, written by John Stone☆15Sep 5, 2019Updated 7 years ago
- repository associated to our pipeline for lipid dynamics☆15Jun 17, 2024Updated 2 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 10 months ago
- ☆16May 11, 2016Updated 10 years ago
- PharmacoForge: Generates pharmacophores conditioned on a protein pocket using a diffusion model☆16Jan 6, 2026Updated 8 months ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆13Oct 3, 2020Updated 5 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.
- Python code for learning Molecular Dynamics simulations☆57Apr 22, 2026Updated 5 months ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 8 years ago
- coming soon☆28May 9, 2023Updated 3 years ago
- Convergent motifs for binding sites☆27Dec 8, 2022Updated 3 years ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated last month
- A flexible, templated GPU library of neighbor search algorithms.☆11Aug 11, 2026Updated last month
- Automatic CHARMM-GUI browser interaction with Python☆21Mar 20, 2023Updated 3 years ago
- Metal Activity Heuristic of Metalloprotein and Enzymatic Sites (MAHOMES) - Predicts if a protein bound metal ion is enzymatic or non-enzy…☆11Apr 19, 2022Updated 4 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.
- ☆11Mar 28, 2026Updated 6 months ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆31Sep 6, 2024Updated 2 years ago
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Aug 12, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Extract linked metadata from repositories☆16Aug 5, 2026Updated last month
- A multiple taggable select autocomplete dropdown component for Vue☆12Oct 15, 2020Updated 5 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Mar 26, 2020Updated 6 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.
- Make your mirror even smarter!☆12Jul 31, 2017Updated 9 years ago
- ☆15Dec 21, 2021Updated 4 years ago
- DLPacker☆32Aug 26, 2024Updated 2 years ago
- BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.☆13Jun 9, 2026Updated 3 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆67Jul 2, 2024Updated 2 years ago
- This is a mirror, please report bugs to☆15Updated this week
- ☆40Jun 10, 2025Updated last year