minys233 Goto Github PK

blog-hugo

blog source code

contactlib

Tool for searching proteins through structural fingerprints.

data-mining-final

Final project of data mining course @ THU

distgnn

dockstream

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

dynaformer

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.

ecif

Extended Connectivity Interaction Features

fairseq

freeze version and make some small changes

fep-benchmark

Benchmark set for relative free energy calculations.

fingerprint2vec

Predicting Molecular Properties from Substructure Hierarchy

gcn-bmp

Implementation of "GCN-BMP: Investigating graph representation learning for DDI prediction task"

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"

informservice

Send Email to inform you your remote tasks are done

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-fep

ml-utils

Some common functions

molnet-python

A easy-to-use reimplementation of deepchem's data loading library, with minimal dependencies.

multi-seq2seq

parallel-computing

homework for parallel computing @ THU

pysokoban

A Sokoban Game written in python using pyGame Library

sa-spr

Reproduction: Identifying Structure−Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism

the-databases-for-drug-discovery

The Databases for Drug Discovery (DDD)

wudao-dict

有道词典的命令行版本，支持英汉互查和在线查询。