Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with cadd
A curated list of projects in awesome lists tagged with cadd .
https://github.com/rmeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
cadd computational-biology computational-chemistry computer-aided-drug-design docking drug-discovery molecular-docking rmsd symmetry
Last synced: 30 Oct 2024
https://github.com/unixjunkie/fasmifra
Molecular Generation by Fast Assembly of SMILES Fragments
cadd deepsmiles distribution-matching molecular-fragments molecular-generation smiles
Last synced: 31 Oct 2024
https://github.com/unixjunkie/hts_shrink
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
applicability-domain bandwidth-selection cadd chemoinformatics hts lbvs ocaml-program parzen-window qsar sample-selection
Last synced: 15 Oct 2024
https://github.com/unixjunkie/rankers
Reference implementation of the Vanishing Ranking Kernels (VRK) method
applicability-domain bandwidth-selection cadd chemoinformatics classification hts kde lbvs ocaml-program qsar vrk
Last synced: 15 Oct 2024