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awesome-python

A curated list of awesome Python frameworks, libraries, software and resources

base_util

util set for DPDH project

csinva.github.io

Slides, notes, blog posts, and research on machine learning, statistics, and artificial intelligence.

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

desmiles

Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"

dp_conf_gen

scripts related to (accurate) conformation generation

dp_dih_scan

for dih scan, 1d and 2d scan

duck

Dynamic Undocking

fragment_generation

lib-invent

lib-invent-dataset

louplus-dm

实验楼 《楼+ 数据分析与挖掘实战》课程挑战作业参考答案

lp_agg

missing-semester-cn.github.io

the CS missing semester Chinese version

ml

经典机器学习算法的极简实现

molsg

alignment-free shape similarity calculation methods

peptideconstructor

This repo is based on clauswilke/PeptideBuilder and Lun4m/PeptideBuilder.

reinventcommunity

description about how to use reinvent projects

secse

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

side_util

seperate scripts for FBDD/LBDD

strain

DPDH strain workflow

syntalinker

Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

transphla-aomp

ustc-cs-courses-resource

:heart:**科学技术大学计算机学院课程资源(https://mbinary.xyz/ustc-cs/)

wangjiayue

Personal Website