Use machine learning to harness prediction of chemicals adsorption on adsorbent materials, using data from the NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials
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Updated
Jun 10, 2024 - Python
Use machine learning to harness prediction of chemicals adsorption on adsorbent materials, using data from the NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials
Python wrapper for the PubChem PUG REST API.
KEGG-Chem is a Python program designed to retrieve KEGG compounds and associated data using an input of KEGG orthologues or modules, and can also retrieve SMILES, SDF files, and more from PubChem.
Computational Drug Screening Platform
Tool for finding similar chemical compounds based on their smiles representation
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The start of making lab reports easier. Pull data from the PubChem API.
Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
NCBI PubChem to BEL
A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease
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