ATOMScience-org / AMPL
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
Why this job: works in the areas we cover, but does not say which job it does
What it does
- Generation of RDKit molecular SMILES structures
- Processing of qualified or censored data processing
- Curation of activity and property values
- Extended connectivity fingerprints (ECFP)
- Graph convolution latent vectors from DeepChem
Get started
curl -LsSf https://astral.sh/uv/install.sh | sh - Maintenance
- Active
- Last commit 28 days ago
- Stars
- 150
- On GitHub
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest version
- 1.8.1
- Released 28 days ago
- Built with
- Jupyter Notebook
- 94% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 62% closed
- 24 still open
- Pull requests
- 281 merged
- 8 waiting
- Releases
- 20
- 3 in the last year
- Contributing guide (opens in new tab)
- No security policy
- Code of conduct (opens in new tab)
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More: languages, topics and project record
Languages
- Jupyter Notebook 94%
- Python 6%
- Shell <1%
- Makefile <1%
Topics
- cheminformatics
- chemistry
- chemistry-discovery
- machine-learning
- math-physics
- nci-doe-collaboration-capability
- neural-network
- python
Project record
- JobOther AI tools
- StatusListed
- Commits2,457
- Forks72
- Watching13
- Stars in 28 days+1
- CreatedNov 7, 2019
- First seen by usNov 7, 2026
- CheckedNov 8, 2026