SMSD
importedtherapeutics/smsd
SMSD — exact substructure & MCS search for chemical graphs.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Repository
- github.com/asad/SMSD
- Documentation
- unknown
- Tags
- bron-kerbosch · cdk · cheminformatics · chemistry · graph-matching · java · maven-central · mcs
- 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.
- MolecularGraph.jlcheminformatics · chemistry · mcs
Graph-based molecule modeling toolkit for cheminformatics
- NCDKcdk · cheminformatics · chemistry
The Chemistry Development Kit ported to .NET
Example code for running Spark and Hive jobs on EMR Serverless.
- aidsorbcheminformatics · chemistry
Python package for deep learning on porous materials and beyond.
- ALKYLcheminformatics · chemistry
Claude Plugin for CompChem , Drug Discovery & Organic Chemistry reasoning
- AMPLcheminformatics · chemistry
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
- api.github.com/repos/asad/SMSDretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-07-23, 50 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/42.json→ .entries["smsd"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.