Lists (5)
Stars
Easily create and customize bump charts in Python
An example of RED-E_based_Restraint_Selection
Wan: Open and Advanced Large-Scale Video Generative Models
Chemical molecule custom component for Streamlit apps
An open-source LaTeX template designed for creating professional thesis, dissertations, and academic reports.
BookLore: A self-hosted, multi-user digital library with smart shelves, auto metadata, Kobo & KOReader sync, BookDrop imports, OPDS support, and a built-in reader for EPUB, PDF, and comics.
Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible
Official repository for the Boltz biomolecular interaction models
An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
A script to run structural alerts using the RDKit and ChEMBL
Python based scripts for D3R grand challenge 2 analysis
A Python package for processing molecules with RDKit in scikit-learn
structures and data for https://doi.org/10.1039/D1SC03472C
Enchanted is iOS and macOS app for chatting with private self hosted language models such as Llama2, Mistral or Vicuna using Ollama.
SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
An Open-Source Molecular Builder and Free Energy Preparation Workflow
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
A python module for performing Rocklin Correction.
13th RDKit UGM. 11-13 September in Zurich, Switzerland
📄 Awesome CV is LaTeX template for your outstanding job application
A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.