Beast code in Giters

Qianjun Xu's starred repositories

The-Art-of-Linear-Algebra-zh-CN

Graphic notes on Gilbert Strang's "Linear Algebra for Everyone", 线性代数的艺术中文版, 欢迎PR.

Language:PostScriptCC0-1.04469 420

chemprop

Message Passing Neural Networks for Molecule Property Prediction

Language:PythonNOASSERTION1761 36 549

Machine-learning-for-proteins

Listing of papers about machine learning for proteins.

GPL-3.01506 148 182

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

Language:PythonNOASSERTION1314 41 2244

ML_course

EPFL Machine Learning Course, Fall 2024

Language:Jupyter Notebook1257 92 21

gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

Language:C++LGPL-2.1708 720

papers-for-molecular-design-using-DL

List of Molecular and Material design using Generative AI and Deep Learning

GPL-3.0666 24 4

dscribe

DScribe is a python package for creating machine learning descriptors for atomistic systems.

Language:C++Apache-2.0398 18 99

best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

CC-BY-SA-4.0386 9 223

QCFractal

A distributed compute and database platform for quantum chemistry.

Language:PythonBSD-3-Clause147 15 293

ai4chem_course

EPFL CH-457 "AI for chemistry"

Language:Jupyter NotebookMIT138 4 4

TokyuSurvival

A Visual Novel Game

Language:JavaScriptMIT115 1 5

ntds_2019

Material for the EPFL master course "A Network Tour of Data Science", edition 2019.

Language:Jupyter NotebookNOASSERTION66 9 6

mlbd-2023

Lab Materials for the EPFL Course on Machine Learning for Behavioral Data CS-421, Spring 2023.

Language:Jupyter NotebookMIT800

pamm

Tools for the Probabilistic Analysis of Molecular Motifs method

Language:FortranGPL-3.07 260