pysmiles

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

• pckroon
• fgrunewald
• tylerjereddy
• mnmelo
• Copilot

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.

• wiswessercheminformatics · smiles · smiles-strings

  Wiswesser Line Notation Project

• ML4SMILESsmiles · smiles-strings

  Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow

• 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.

• GSoC2025_Hbond_PMcheminformatics · smiles-strings

  GSoC 2025 - MDAnalysis x ProLIF Project 5: H-Bond interactions from implicit hydrogens

• s4-for-de-novo-drug-designcheminformatics · smiles-strings

  The official codebase of the paper "Chemical language modeling with structured state space sequence models"

• SMILESAugmentationcheminformatics · smiles-strings

  SMILES, SELFIES and Reaction SMILES augmentation using RDKit

1. api.github.com/repos/pckroon/pysmiles
   retrieved 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.

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/v1/entries/23.json→ .entries["pysmiles"]

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