Neverland999's Stars
Pymol-Scripts/Pymol-script-repo
Collected scripts for Pymol
mordred-descriptor/mordred-web
mordred web interface
onecoinbuybus/chemoinformatics
Avi1-x/QSAR-Machine-Learning-Model
rsafarov1995/Machine_Learning_QSAR
quantaosun/QSAR-COVID-19
Open Source, machine learning QSAR model with public data or your local data, The model utilises molecular descriptors as the independent variable, bioactivity as the dependent variable, random forest as a mathematical model.
mhlee216/QSAR_Machine_Learning_Pipeline
StevieCL/Random_Forest_Classifier_AR-
Machine Learning model to classify chemical compounds bioactivity on human androgen receptor (AR).
j3xugit/RaptorX-3DModeling
Note that current version does not include search of very large metagenome data. For some proteins, metagenome data is important. We will update this as soon as possible.
hiranumn/DeepAccNet
Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.
javaidnabi31/Multi-class-with-imbalanced-dataset-classification
Multi-class with imbalanced dataset classification
f2005636/Classification
Classification Algorithms
dformoso/sklearn-classification
Data Science Notebook on a Classification Task, using sklearn and Tensorflow.
wepe/efficient-decision-tree-notes
高效决策树算法系列笔记
parrt/dtreeviz
A python library for decision tree visualization and model interpretation.
cosylabiiit/bittersweet
rdkit/rdkit
The official sources for the RDKit library
dreadlesss/rdkit_summary
rdkit总结与实践
Goodman-lab/DP5
Python workflow for DP5 and DP4 analysis of organic molecules