chenbq's repositories
BIND
Leveraging protein-language models for virtual screening
DeepLearningZerotoHero
A repository for Deep Learning projects, which includes complete preparation from Novice to Expert
DIG
A library for graph deep learning research
Enhanced_Sampling_Methods_Tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
GNNPapers
Must-read papers on graph neural networks (GNN)
influential-cs-books
Most influential books on Computer Science/programming
LearnPython
以撸代码的形式学习Python
Machine-Learning-homework
Matlab Coding homework for Machine Learning
molecular-entropies
Data and analysis scripts for understanding molecular entropies, including conformer flexibility
molecular-graph-descriptors
Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the Global and Local Minimum Energy Structures of Neutral Water Clusters.
MONN
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
MusiteDeep_web
This repository contains the stand-alone tool for MusiteDeep server
protein-science
A collection of useful tutorials for Protein Science
Python
All Algorithms implemented in Python
pytorch_tutorials
PyTorch tutorials.
Sampling-Uncertainty
Best Practices article intended for LiveCoMS
the-self-cultivation-of-leeks
Wish you have a good life of peace…
twe185
TOEFL iBT 高分作文