Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by Adam-maz
A curated list of projects in awesome lists by Adam-maz .
https://github.com/adam-maz/painsapp
An application to perform PAINS analysis for moleclues libraries
application computer-aided-drug-design medicinal-chemistry object-oriented-programming pan-assay-interference-compounds python rdkit-chem tkinter-gui virtual-screening
Last synced: 09 Nov 2024
https://github.com/adam-maz/cns_mpo_calculator
Here I provide some code that enables users to calculate CNS MPO score for their molecules, based on the SMILES and known pKa values.
chemoinformatics cnsmpo computer-aided-drug-design medicinal-chemistry object-oriented-programming python rdkit virtual-screening
Last synced: 09 Nov 2024
https://github.com/adam-maz/chembl_parsing_script
Script enables researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.
bioactivity chembl computer-aided-drug-design data-parsing ipython-notebook ligand-based-drug-design medicinal-chemistry python smiles structure-based-drug-design
Last synced: 13 Nov 2024
https://github.com/adam-maz/cnndock
CNN based moleculra docking classification of small molecules in Maestro Schrodinger
ann cloud-computing cnn-classification deep-learning fingerprint ipython-notebook medicinal-chemistry molecular-docking python rdkit
Last synced: 12 Dec 2024
https://github.com/adam-maz/fingerprint-based_tool_for_small_drug_screening
Here I provide small drug screening toolkit based on RandomForrestClassifier
binary-classification chembl fingerprints ipython-notebook ligand-based-drug-design machine-learning medicinal-chemistry molecular-screening random-forest-classifier
Last synced: 17 Dec 2024