Automated 2D visualizations of chemical spaces
Project description
LazyChemVis
Automated 2D visualizations of chemical spaces.
This package allows for visualizing chemical spaces using a fit-transform logic. TO-DO
Installation
To get started, create a Conda environment:
conda create -n lazychemvis python=3.12
conda activate lazychemvis
Then install the package using pip:
pip install git+https://github.com/ersilia-os/lazy-chemvis.git
Usage
Fit projections for a given chemical space
TO-DO
lazychemvis_fit --lib_input smiles_10k.csv --dir_path my_output
About the Ersilia Open Source Initiative
The Ersilia Open Source Initiative is a tech-nonprofit organization fueling sustainable research in the Global South. Ersilia's main asset is the Ersilia Model Hub, an open-source repository of AI/ML models for antimicrobial drug discovery.
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file lazychemvis-1.3.0.tar.gz.
File metadata
- Download URL: lazychemvis-1.3.0.tar.gz
- Upload date:
- Size: 69.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: poetry/2.4.1 CPython/3.12.3 Linux/6.17.0-1015-azure
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
efe7377815b8b183462e471d4a199879c4d9640ca99cf0f09b1b80ff709c54c0
|
|
| MD5 |
fafd03e6047e7074b6d819b9e216d3db
|
|
| BLAKE2b-256 |
dabaa2275dac5e0b60f6b2db7cc45c2b78624634b5b63850f57bf67cf73e2d69
|
File details
Details for the file lazychemvis-1.3.0-py3-none-any.whl.
File metadata
- Download URL: lazychemvis-1.3.0-py3-none-any.whl
- Upload date:
- Size: 74.1 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: poetry/2.4.1 CPython/3.12.3 Linux/6.17.0-1015-azure
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
1d3da61eab8b45f1b7cedecd5c715136678eb33ea3500397ccf95511c839f1af
|
|
| MD5 |
4195030bcbd4bb00ed399296eaec297c
|
|
| BLAKE2b-256 |
57aa76ce210945135cf466f55fdc8ba23ebb31c69f6377c2666e2eb46cc97f73
|
