Tanimoto GP
A small library for Tanimoto kernel Gaussian processes over molecules.
For a minimal running example, see examples/logp_regression.py.
Installation
pip install tanimoto-gp
Development
# Install all deps (including dev group)
uv sync
# Install pre-commit hooks
uv run pre-commit install
# Run tests
uv run pytest
List of possible improvements
- Cache the cholesky factorization of kernel matrix to avoid repeatedly computing this in BO
1 maintainer
Release files for tanimoto-gp 0.1.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| tanimoto_gp-0.1.3.tar.gz | 106.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| tanimoto_gp-0.1.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 110.4 kB
Release files / tanimoto_gp-0.1.3.tar.gz
| Download URL | tanimoto_gp-0.1.3.tar.gz |
|---|---|
| Size | 106.5 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
6ff7682cc313713883be50dbeaaa6ef06e4169e6117dab67356e0628d0b1aa35
|
|
BLAKE2b-256 checksum How to use checksums |
24308d267ea13a2823609664a7446b5b20b569a6b17e1e7d46c16512aa605336
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.12
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on May 13, 2026.
Transparency logRelease files / tanimoto_gp-0.1.3-py3-none-any.whl
| Download URL | tanimoto_gp-0.1.3-py3-none-any.whl |
|---|---|
| Size | 3.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
1d60025db8f60ba5357ba77125cca40f1c5fe777fec8a96469868669c37fde06
|
|
BLAKE2b-256 checksum How to use checksums |
8bd9997ccc7cc15349a8c729190a58b4831c105d65b5e0e588d0c4d9be7abca2
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.12
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on May 13, 2026.
Transparency log
