Minys's repositories
dynaformer_model
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.
Fingerprint2vec
Predicting Molecular Properties from Substructure Hierarchy
data-mining-final
Final project of data mining course @ THU
parallel-computing
homework for parallel computing @ THU
The-Databases-for-Drug-Discovery
The Databases for Drug Discovery (DDD)
contactlib
Tool for searching proteins through structural fingerprints.
DockStream
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
ECIF
Extended Connectivity Interaction Features
fairseq
freeze version and make some small changes
fep-benchmark
Benchmark set for relative free energy calculations.
gnome-shell-system-monitor-applet
Display system informations in gnome shell status bar, such as memory usage, cpu usage, network rates…
InfoGraph
Official code for ICLR spotlight paper "InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization"
JBUAA
Easy-to-use Latex Template for Essay in Chinese
md-automation
automation of MD tools
minys233.github.io
Blog in which I probably will write something
ml-utils
Some common functions
molnet-python
A easy-to-use reimplementation of deepchem's data loading library, with minimal dependencies.
pySokoban
A Sokoban Game written in python using pyGame Library
Wudao-dict
有道词典的命令行版本,支持英汉互查和在线查询。