Molcomplib is a key component of the MolCompass project. It is a python library, that provides the pretrained parametric t-SNE model for molecular visualization. This model was trained on ChEMBL data (about 1 Million of molecules). This library generates X and Y coordinates for compounds so that similar compounds group together forming well-recognisible clusters. The library is lightweight, and requires only rdkit and numpy (optionally, pandas)
1 maintainer
Metadata
1 maintainer
Release files for molcomplib 1.1.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| molcomplib-1.1.3.tar.gz | 15.6 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| molcomplib-1.1.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 31.3 MB
Release files / molcomplib-1.1.3.tar.gz
| Download URL | molcomplib-1.1.3.tar.gz |
|---|---|
| Size | 15.6 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
2b7dabb82c1b4ac76a8eabc3c7fb1ed6cdd1c0e06c602668c37f3a027811f595
|
|
BLAKE2b-256 checksum How to use checksums |
7527ccf99abde6161075cdf3bb262dffd861d7fa408e26ad54349ac75c1e6215
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.12.9
|
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 16, 2025.
Transparency logRelease files / molcomplib-1.1.3-py3-none-any.whl
| Download URL | molcomplib-1.1.3-py3-none-any.whl |
|---|---|
| Size | 15.6 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
db05f587ad6a04e789eaf74fca61c02e28fb2139599600c77f7da73171c34435
|
|
BLAKE2b-256 checksum How to use checksums |
035cc8c273e1a71c29e3687342364e9c253772553b0c5a589742c5744dd02bdb
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.12.9
|
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 16, 2025.
Transparency log
