chupvl Goto Github PK

2022_haghighi_naturemethods

High-Dimensional Gene Expression and Morphology Profiles of Cells across 28,000 Genetic and Chemical Perturbations

2023_moshkov_natcomm

Predicting assays Using Morphological Analysis

awesome-cadd

Awesome CADD repositories

awesome-chemical-data

Curated list of known efforts in collecting and/or curating of chemical/materials data

awesome-ddd

awesome-ls-ventures

Awesome list of the data and AI/ML related projects with direct Life Science Companies participation

chupvl.github.io

effective_xgboost_book

Fixing an effective_xgboost_book

explainerdashboard

Quickly build Explainable AI dashboards that show the inner workings of so-called "blackbox" machine learning models.

ez_enaminetor

Set of scripts to work with Enamine REAL chemical spaces

gcolab

Google Collab Notebooks: cheminformatics

gradient_boosting_clf

Repository for reproducing the results presented in the paper "Tuning gradient boosting for imbalanced bioassay modelling".

node

Neural Oblivious Decision Ensembles for Deep Learning on Tabular Data

nonconformist

Python implementation of the conformal prediction framework.

paddlehelix

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

qsar_sets

Various QSAR datasets

quantpharmacophore

Code available for the quantitative pharmacophores

rdkit_utils

Various rdkit wrappers and related functions

scaling_matters

Code, data and results used in the research paper "The choice of scaling technique matters for classification performance"

scientific-visualization-book

An open access book on scientific visualization using python and matplotlib

silirid

silirid

smurff

Bayesian Factorization with Side Information in C++ with Python wrapper