Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
89,073 visible repositories in the index
145–168 of 448 · Most stars
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Biological foundation modeling from molecular to genome scale
A PyTorch library entirely dedicated to neural differential equations, implicit models and related numerical methods
The official SuiteSparse library: a suite of sparse matrix algorithms authored or co-authored by Tim Davis, Texas A&M University.
Toolkit for processing sequences in FASTA/Q formats
JavaScript Topology Suite
A fast algorithm for finding the pole of inaccessibility of a polygon (in JavaScript and C++)
Symbolic programming for the next generation of numerical software
Optimal Control for Switched Systems
Fast and embedded solvers for nonlinear optimal control and nonlinear model predictive control
This repo is created to serve simulaion and analysis on the data collected in Jiuyang Bai's dissertation research.
The Polygon Mesh Processing Library
Aggregate results from bioinformatics analyses across many samples into a single report.
Claude Code skills for academic papers: deep analysis, comics, summaries | 论文工艺:深度解读、漫画生成、速览总结
Computational Geometry Unity library with implementations of intersection algorithms, triangulations like delaunay, voronoi diagrams, polygon clipping, bezier curves, ear clipping, convex hulls, mesh simplification, etc
Differentiable, Hardware Accelerated, Molecular Dynamics
tl/dw (Too Long, Didn't Watch): Your Personal Research Multi-Tool - a naive attempt at 'A Young Lady's Illustrated Primer' (Open Source NotebookLM)
Knowledge is a tool for saving, searching, accessing, exploring and chatting with all of your favorite websites, documents and files.
Volt (VPhysics Jolt) is a replacement physics module for the Source Engine.
An AI co-scientist running on your desktop. Claude Science but better.
SymEngine is a fast symbolic manipulation library, written in C++
Penumbra Color Theme
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Unix, R and python tools for genomics and data science