☆18Jan 11, 2024Updated 2 years ago
Alternatives and similar repositories for x-fp
Users that are interested in x-fp are comparing it to the libraries listed below
Sorting:
- Simple thin client to interface python scripts with SambVca catalytic pocket fortran calculator.☆26Jan 22, 2026Updated last month
- ☆26Apr 9, 2025Updated 11 months ago
- Simple analyses and tutorials on the COVID-19 Knowledge Graph☆14Apr 27, 2020Updated 5 years ago
- ☆16Dec 17, 2025Updated 2 months ago
- A Python package for benchmarking pathway database with functional enrichment and classification methods☆13Mar 2, 2021Updated 5 years ago
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated 11 months ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- ☆35Jul 18, 2025Updated 7 months ago
- Data and model repository for the ASKCOS application☆16Feb 24, 2022Updated 4 years ago
- Open-source tool for synthons-based library design.☆88Jan 8, 2025Updated last year
- ☆95Jul 11, 2024Updated last year
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆53Oct 15, 2024Updated last year
- Neuro Behaviour Ontology: an ontology for human and animal behaviour processes and behaviour phenotypes☆26Jan 14, 2026Updated last month
- The OpenSMILES specification☆23Jun 17, 2025Updated 8 months ago
- Molecular Library Toolbox☆64Feb 24, 2026Updated last week
- ☆23Nov 10, 2020Updated 5 years ago
- A General Public Dictionary of Common Chemical Names to their Molecular Definition☆26Oct 2, 2023Updated 2 years ago
- 🪝 What's the latest version for each database?☆28Updated this week
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆28Jul 1, 2024Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Oct 22, 2021Updated 4 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆25Dec 23, 2025Updated 2 months ago
- DataSAIL is a tool to split datasets while reducing information leakage.☆47Feb 24, 2026Updated last week
- Tools to train synthesis prediction models☆29Feb 11, 2026Updated 3 weeks ago
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 4 months ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆87Oct 23, 2025Updated 4 months ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 3 years ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆32Jul 1, 2024Updated last year
- XPO represents anatomical, cellular, and gene function phenotypes occurring throughout the development of the African frogs Xenopus laevi…☆11Jul 25, 2025Updated 7 months ago
- ChEMBL database structure pipelines☆235Nov 24, 2025Updated 3 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆86Feb 9, 2026Updated last month
- Interactive molecule viewer for 2D structures☆249Dec 27, 2025Updated 2 months ago
- 🍪 A cookiecutter package for an enlightened python package☆41Mar 1, 2026Updated last week
- Chemoinformatics toolkit with support for inorganic molecules☆45Oct 9, 2025Updated 5 months ago
- PSI-MOD ontology for modified and unmodified amino acid residues☆14Jan 8, 2026Updated 2 months ago
- VenomPred 2.0 API☆11Feb 4, 2026Updated last month
- A Fast Chemical Graph Generator☆94Mar 2, 2026Updated last week
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Jan 24, 2025Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆276Jan 25, 2026Updated last month