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7 search results found

Openchem ⭐ 450

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language

Zaira Chem ⭐ 16

Automated QSAR based on multiple small molecule descriptors

Qsprpred ⭐ 14

A tool for creating Quantitative Structure Property Relationship (QSPR) models.

Modeling framework for eTRANSAFE project

Sars Cov Mpro ⭐ 5

QSAR models and putative agents identified against SARS-CoV-2

Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.

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