A Rust library for parsing PDB (Protein Data Bank) files
☆21Sep 16, 2026Updated last month
Alternatives and similar repositories for pdbrust
Users that are interested in pdbrust are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fast protein backbone flexibility prediction model☆42Sep 9, 2026Updated last month
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated 2 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Oct 4, 2026Updated 3 weeks ago
- This is a topological deep learning extension to the ProteinWorkshop framework for protein structure representation learning. This librar…☆12Dec 22, 2025Updated 10 months ago
- Fork of open-source PyMOL molecular visualization system refactored to run in MacOS/iOS using Metal.☆39Updated this week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Pure-Rust cheminformatics toolkit and RDKit-compatible alternative for SMILES/SMARTS, SDF, fingerprints, substructure search, ETKDG, UFF/…☆34Updated this week
- Repository for molar crate and its dependencies☆66Oct 23, 2026Updated last week
- Lightweight screen recorder for Wayland that captures regions as GIFs☆13Jan 5, 2026Updated 9 months ago
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆19May 15, 2026Updated 5 months ago
- ☆13May 24, 2026Updated 5 months ago
- ☆10Feb 1, 2024Updated 2 years ago
- ☆15Dec 13, 2025Updated 10 months ago
- Molecular dynamics simulation skills for AI agents☆17Updated this week
- ☆52Jun 15, 2026Updated 4 months 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.
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 6 years ago
- Fork of DiffDock designed for fine tuning.☆13Oct 26, 2025Updated last year
- ☆51Jul 17, 2026Updated 3 months ago
- Build protein-protein complexes and compute binding descriptors☆11Aug 19, 2022Updated 4 years ago
- ☆13Mar 9, 2026Updated 7 months ago
- Deep Residual Learning for Molecular Force Fields☆13Aug 12, 2026Updated 2 months ago
- ☆11Aug 29, 2025Updated last year
- Conditionally Site-Independent Neural Evolution of Antibody Sequences (ICML '26)☆25Aug 30, 2026Updated last month
- ☆19Oct 4, 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.
- Amber MD agent tooling and MCP servers☆19Jun 16, 2026Updated 4 months ago
- ☆16Sep 19, 2024Updated 2 years ago
- ☆10Aug 3, 2023Updated 3 years ago
- ☆17Aug 17, 2026Updated 2 months ago
- An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials☆23Jun 6, 2026Updated 4 months ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- ☆53Jun 17, 2026Updated 4 months ago
- ☆11Feb 3, 2026Updated 8 months ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 7 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆13Jun 7, 2025Updated last year
- PyTorch operations for use in creating machine learning interatomic potentials☆22Sep 15, 2026Updated last month
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Updated this week
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- A curated, interactive directory of protein design research groups worldwide.☆20Sep 19, 2026Updated last month
- A library for transforming chemical reactions into superimposed reaction (sr) SMILES representations for sequence-based ML tasks.☆14Apr 10, 2026Updated 6 months ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆27Oct 17, 2023Updated 3 years ago