Adding paper link

Adding a link to the ADMET-AI Bioinformatics paper to the README.

Improvements and Fixes (Peer Review)

This release contains improvements and fixes, including those suggested by peer reviewers for our ADMET-AI paper (thank you reviewers!). Below is a non-exhaustive list of changes.

• Changing radar plot toxicity from the max across all toxicity endpoints to just the ClinTox toxicity for ease of interpretability
• Adding scripts to the local version of ADMET-AI to generate radar plots and DrugBank reference scatter plots
• Fixing dependencies (e.g., Chemprop==1.6.1 due to incompatibility with Chemprop version 2)
• UI improvements to the website, including the version number and links to the Valence blog post and to the code on GitHub
• Adding species information for each ADMET endpoint on the website
• Clipping infeasible values on the website (e.g., half life < 0 hours)

Release for Zenodo

Release to trigger a Zenodo DOI creation

Including DrugBank Reference

This release includes the DrugBank reference data to enable calculation of DrugBank reference percentiles.

Including multitask models

This release now includes the multitask ADMET models (one for regression and one for classification). The DrugBank reference data is not yet included.

ADMET-AI Release

The initial release of ADMET-AI.

Note: This release does not include model files or DrugBank reference files. These files will be included in a future release.