Stars
It's a package for evaluation of predicted poses, right?
Chai-1, SOTA model for biomolecular structure prediction
Protein Ligand INteraction Dataset and Evaluation Resource
PINDER: The Protein INteraction Dataset and Evaluation Resource
Repository for the main Dockerfile with the OpenWorm software stack and project-wide issues
Python-based GUI to collect Feedback of Chemist in Molecules
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
Demonstration on how to use sql.js (a javascript library to run SQLite on the web) with Shiny
A comprehensive library for computational molecular biology
molecular plots in Jupyter, powererd by Blender Geometry Nodes
A high performance drop-in replacement for Biotite's PDBFile.
Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.
Python pathlib-style classes for cloud storage services such as Amazon S3, Azure Blob Storage, and Google Cloud Storage.
Versatile computational pipeline for processing protein structure data for deep learning applications.
A Community-led Hyper-Hackable Text Editor
Music visualizer built with WASM, Canvas, and Web Audio API
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on…
A helpful 5-page machine learning cheatsheet to assist with exam reviews, interview prep, and anything in-between.
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
A Rust implementation of the LightDock macromolecular docking software
An implementation of Delaney's ESOL method using the RDKit
Tutorial for a new versioning Machine Learning pipeline