Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
47,133 repositories indexed
25–48 of 92 · Most stars
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Python DSP module
Fiona reads and writes geographic data files
This library reads and writes ESRI Shapefiles in pure Python.
An autoML framework & toolkit for machine learning on graphs.
Python bindings and utilities for GeoJSON
Fire your SEO·GEO agency 🔥 A Claude Code skill that audits and optimizes SEO·AEO·GEO·LLMO·NEO(Naver) by itself — 월 50~350만 원짜리 'AI 검색 최적화' 대행, AI 에이전트가 대체합니다
SEO foundation checks as an Agent Skill: give it a URL, get a crawler's-eye pass/fail report with evidence. 26 structural checks, zero LLM, deterministic.
Python package for graph neural networks in chemistry and biology
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Give satellite imagery, terrain data, buildings, streetview photos to your LLM
A multiplayer geography game using Websockets
Official Hi3D v1.0: high-resolution 3D geometry refinement built on Sparc3D. Inference code, model weights, and documentation.
An elegant Python interface for visualization on the web platform to interactively generate insights into multidimensional images, point sets, and geometry.
Urbanist is a low-contrast, geometric sans-serif inspired by Modernist design and typography.
Main yt repository
pure-Python (Numpy optional) 3D coordinate conversions for geospace ecef enu eci
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
Easily encrypt data in Django
QuackOSM: an open-source Python and CLI tool for reading OpenStreetMap PBF files using DuckDB
Ear-bending noises and music
Pydantic data models for the GeoJSON spec
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
The Geospatial Neighborhood Analysis Package