lgjun Goto Github PK

aaindex

Convert raw AAIndex data into Python-friendly, ready-to-use dataframes

ailearning

AiLearning: 机器学习 - MachineLearning - ML、深度学习 - DeepLearning - DL、自然语言处理 NLP

alphafold

Open source code for AlphaFold.

alphafold2

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

command-line-text-processing

:zap: From finding text to search and replace, from sorting to beautifying text and more :art:

data-science-notebook

:book: 每一个伟大的**和行动都有一个微不足道的开始

deepchem

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

docker

ecif

Extended Connectivity Interaction Features

free-programming-books

:books: Freely available programming books

funcliblocal

Rosetta Funclib

gnina

A deep learning framework for molecular docking

gromacs-cp2k-qmmm

interpretmutations

A formalism for understanding the contributions of different factors to the mutational effects predictions

learning-computation-with-chenggong

lgjun.github.io

lgjun个人博客

martini-3

coarse-grained

matplotlib

matplotlib: plotting with Python

mdeepred

Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery

mdtraj

An open library for the analysis of molecular dynamics trajectories

megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

mlhub123

机器学习&深度学习网站资源汇总（Machine Learning Resources）

mlsf

Code and data for reproducing the results of machine-learning vs classical scoring functions on similarity-based benchmarks

notebook-md-ml

oddt

Open Drug Discovery Toolkit

protein-ligand-score

pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

pyplif

Automatically exported from code.google.com/p/pyplif

pypolybuilder

python

最良心的 Python 教程：