iSIM
importedtherapeutics/isim
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- mqcomplab
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/mqcomplab/iSIM
- Documentation
- unknown
- Tags
- chemical-space · cheminformatics · clustering · drug-design · sampling · similarity · similarity-search
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- bitbirchchemical-space · cheminformatics · clustering · drug-design
BitBIRCH clustering algorithm
- bbleancheminformatics · clustering · similarity
BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
- moldrugchemical-space · cheminformatics · drug-design
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
- sensaascheminformatics · drug-design · similarity-search
Shape-based alignment of molecules using 3D point-based representation
- sensaas-bioisosterecheminformatics · drug-design · similarity-search
Shape-based alignments for identifying bioisosteric replacements or scaffold-hopping using SENSAAS
- sensaas-pycheminformatics · drug-design · similarity-search
Shape-based alignment of molecules using 3D point-based representation
- api.github.com/repos/mqcomplab/iSIMretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2025-11-12, 64 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/27.json→ .entries["isim"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.