hejunhong1107 Goto Github PK

aidd-tutorial

Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程

amberutils

Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods

chemistry_drawer

Draw molecules with plotly!

cv

✔（已完结）最全面的 深度学习 笔记【土堆 Pytorch】【李沐 动手学深度学习】【吴恩达 深度学习】

deepaffinity

Protein-compound affinity prediction through unified RNN-CNN

deepgraphgo

DeepGraphGO: graph neural network for large-scale, multispecies protein function prediction

diffdock-pp

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

dmasif

drugban

Interpretable bilinear attention network with domain adaptation improves drug-target prediction.

dynamicbind

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

hisif-dta

karmadock

leetcode-py

⛽️「算法通关手册」：超详细的「算法与数据结构」基础讲解教程，从零基础开始学习算法知识，800+ 道「LeetCode 题目」详细解析，200 道「大厂面试热门题目」。

luna

machine-learning-for-proteins

Listing of papers about machine learning for proteins.

neuralplexer

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

paper-reading

深度学习经典、新论文逐段精读

pdbcolor

Python code to color a PDB structure based on parameters from a multiple sequence alignment

protwis

Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

protwis_vagrant

pymol-script-repo

Collected scripts for Pymol

python

✔（已完结）最全面的 Python 笔记【马士兵教育】

spider

✔（已完结）最全面的 爬虫与数据库 笔记

tp-conservacion-cicovich-alvarez

transformercpi2.0

Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that do not yet have high-quality 3D structures available.

uni-fold

An open-source platform for developing protein models beyond AlphaFold.