Lists (9)
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CryoSAMU: Enhancing Low-Resolution 3D Cryo-EM Maps with Structure-Aware Multimodal U-Nets
Project examing sparse deep learning architectures for ligand classification.
This bundle provides ChimeraX command for recognizing ligands in cryoEM and X-ray crystallography maps using deep learning.
Xournal++ is a handwriting notetaking software with PDF annotation support. Written in C++ with GTK3, supporting Linux (e.g. Ubuntu, Debian, Arch, SUSE), macOS and Windows 10. Supports pen input fr…
A library for creating complex UpSet plots with ggplot2 geoms
MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
LaTeX templates for manuscripts. bioRxiv preprint and journal submission templates. For use on Overleaf.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
A computer algebra system written in pure Python
VIP cheatsheets for Stanford's CS 229 Machine Learning
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets relating to drug discovery: a knowledge…
A Sublime Text 3 plugin to preview your markdown as you type
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Remove textual watermark of any font, any encoding and any language with pdf-unstamper now!
Implementation of Alphafold 3 from Google Deepmind in Pytorch
DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)
Quickly rewrite git repository history (filter-branch replacement)
Chemical representation learning paper in Digital Discovery
A foundation model for knowledge graph reasoning