ProjectPyRhO / PyRhO Star 41 Code Issues Pull requests A virtual optogenetics laboratory python neuroscience computational-neuroscience neuron brain jupyter-widget optogenetics opsin brian2 brainweb Updated Jul 24, 2023 Python
bioclipse / bioclipse.cheminformatics Star 10 Code Issues Pull requests Bioclipse Cheminformatics Feature java chemistry pubchem chemspider jmol cml cdk bioclipse jchempaint inchi opsin Updated Jan 25, 2019 Java
USEtox / PROVESID Star 3 Code Issues Pull requests Access online services of chemical identifiers from Python python pubchem smiles inchi opsin chebi inchikey casrn chemical-identifiers pubchem-api cas-common-chemistry classyfire Updated Apr 16, 2026 HTML
BryTheGuy / GCMSpyDFT Star 1 Code Issues Pull requests Python library to transform a GCMS output file into a DFT input file. dft python3 openbabel gcms opsin Updated Jun 12, 2024 Python
gvmfhy / smiles2iupac Star 0 Code Issues Pull requests Free, open-source SMILES → IUPAC name converter. PubChem-keyed lookup with OPSIN round-trip cross-validation. CLI, Python lib, Gradio web app, MCP server. chemistry cheminformatics rdkit pubchem gradio smiles opsin iupac fastapi model-context-protocol mcp-server iupac-nomenclature Updated May 3, 2026 Python