openmm / openmm

PDBFixer fixes problems in PDB files

High level API for using machine learning models in OpenMM simulations

OpenMM plugin to interface with PLUMED

大模型Grok-1开源

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Thousand Island is a pure Elixir socket server

Public development project of the LAMMPS MD software package

#计算机科学#Graphormer is a general-purpose deep learning backbone for molecular modeling.

PyGWalker: Turn your dataframe into an interactive UI for visual analysis

a small build system with a focus on speed

MDAnalysis is a Python library to analyze molecular dynamics simulations.

A MAD laboratory to improve AI architecture designs 🧪

Overture Maps Data

Diffusion models of protein structure; trigonometry and attention are all you need!

HTMD: Programming Environment for Molecular Discovery

Official code and checkpoint release for mobile robot foundation models: GNM, ViNT, and NoMaD.

create cli applications using pydantic models

lf 是一个跨平台运行在终端上的文件浏览器

Anki's shared backend and web components, and the Qt frontend