A Python wrapper for PaDEL-Descriptor software
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Updated
Nov 10, 2023 - Python
A Python wrapper for PaDEL-Descriptor software
A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
A Python wrapper for alvaDesc software
a *biosynformatic* fingerprint to explore natural product distance and diversity
PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software
hacked code to bicluster molecules using rdkit and scikitlearn
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