yusowa0716

Pinned Repositories

fairchem
FAIR Chemistry's library of machine learning methods for chemistry
Language:Python797 24 204246
DEM
Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.
Language:Python39 3 24
AI2BMD
AI-powered ab initio biomolecular dynamics simulation
Language:Python183 10 820
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
Language:Python998 25 114222
pytorch_geometric
Graph Neural Network Library for PyTorch
Language:Python21.2k 252 3.5k3.6k
torchmd-protein-thermodynamics
Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
Language:Jupyter Notebook73 5 2110
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
Language:Python00
pytorch_geometric
Graph Neural Network Library for PyTorch
Language:Python00
URFC2019_Preliminary
XJTU&Baidu URFC , Online Accuracy： 0.7199
Language:Python00
yusowa0716.github.io
Language:HTML10

yusowa0716's Repositories

yusowa0716/yusowa0716.github.io
Language:HTML10
yusowa0716/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
Language:Python00
yusowa0716/pytorch_geometric
Graph Neural Network Library for PyTorch
Language:Python00
yusowa0716/URFC2019_Preliminary
XJTU&Baidu URFC , Online Accuracy： 0.7199
Language:Python00