pysmiles
importedtherapeutics/pysmiles
A lightweight python-only library for reading and writing SMILES strings
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
- Homepage
- unknown
- Repository
- github.com/pckroon/pysmiles
- Documentation
- unknown
- Tags
- cheminformatics · hacktoberfest · python · smiles · smiles-strings · writing-smiles
- 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.
- chemistry_drawercheminformatics · smiles
Draw molecules with plotly!
- get-chemical-smiles-by-cas-or-namecheminformatics · smiles-strings
Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.
- global-chemcheminformatics · smiles
A Knowledge Graph of Common Chemical Names to their Molecular Definition
- s4-for-de-novo-drug-designcheminformatics · smiles-strings
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
- cleanmolcheminformatics · smiles
Reproducible cleaning and standardization of SMILES-based chemical datasets
- Deep-Drug-Codersmiles-strings
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
- api.github.com/repos/pckroon/pysmilesretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-07-06, 164 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/23.json→ .entries["pysmiles"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.