Chloey Sun's repositories
Sundw-818
My personal repository
SunKit
Code notebook for python package learning.
EqMotion
[CVPR2023] EqMotion: Equivariant Multi-agent Motion Prediction with Invariant Interaction Reasoning
forBeginners
帮助初学者快速入门生物信息学必备技能的网络资源
coarsegrained-md-neural-ode
Thesis repository on neural ordinary differential equations used for coarse-graining molecular dynamics
md-neural-ode
First two problems of my Master's Thesis on Coarse-Graining of Molecular Dynamics with Neural Ordinary Differential Equations
Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
openfold
Trainable PyTorch reproduction of AlphaFold 2
fairseq
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
Graphormer
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material design, drug discovery, etc.
SIGN
Paddle implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD 2021)
ConfVAE-ICML21
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
fastmoe
A fast MoE impl for PyTorch
protein-interaction-network
Computes a molecular graph for protein structures.
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Deep-Learning-Papers-Reading-Roadmap
Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!
GNNPapers
Must-read papers on graph neural networks (GNN)
pyecharts
🎨 Python Echarts Plotting Library
pyecharts-gallery
Just use pyecharts to imitate Echarts official example.