Metadata-Version: 2.4
Name: tanimoto_gp
Version: 0.1.2
Summary: Exact Tanimoto Kernel Gaussian Processes
Author: Austin Tripp
License: MIT License
        
        Copyright (c) 2022 Austin Tripp
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the "Software"), to deal
        in the Software without restriction, including without limitation the rights
        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
        copies of the Software, and to permit persons to whom the Software is
        furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all
        copies or substantial portions of the Software.
        
        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.
        
Keywords: gaussian-process,tanimoto
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: jax
Requires-Dist: kern_gp
Requires-Dist: rdkit
Dynamic: license-file

# Tanimoto GP

Work in progress- a small library for Tanimoto kernel GPs.

For a minimal running example, see `examples/logp_regression.py`.

## Development

### Installation

Install `kern_gp` from `https://github.com/AustinT/kernel-only-GP`.

(currently works with v0.1.0, future compatibility unclear)

### Formatting

Use pre-commit to enforce formatting, large file checks, etc.

If not already installed in your environment, run:

```bash
conda install pre-commit
```

To install the precommit hooks:

```bash
pre-commit install
```

Now a series of useful checks will be run before any commit.

## List of possible improvements

- Cache the cholesky factorization of kernel matrix to avoid repeatedly computing this in BO
