Beast code in Giters

Minys's repositories

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.

Language:PythonMIT200

Fingerprint2vec

Predicting Molecular Properties from Substructure Hierarchy

Language:PythonMIT200

SA-SPR

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

Language:Jupyter NotebookMIT200

data-mining-final

Final project of data mining course @ THU

Language:PythonMIT100

GCN-BMP

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

Language:PythonMIT100

parallel-computing

homework for parallel computing @ THU

Language:C++MIT1 20

The-Databases-for-Drug-Discovery

The Databases for Drug Discovery (DDD)

100

blog-hugo

blog source code

Language:ShellApache-2.0020

contactlib

Tool for searching proteins through structural fingerprints.

Language:Python000

DockStream

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Language:PythonApache-2.0000

ECIF

Extended Connectivity Interaction Features

MIT000

fairseq

freeze version and make some small changes

MIT000

fep-benchmark

Benchmark set for relative free energy calculations.

MIT000

gnome-shell-system-monitor-applet

Display system informations in gnome shell status bar, such as memory usage, cpu usage, network rates…

GPL-3.0000

InfoGraph

Official code for ICLR spotlight paper "InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization"

000