Skip to content

Welcome to Batista Lab from Yale

Here you'll find repositories of projects developed in our group. Please visit our website for a list of members and publications. Check out models.batistalab.com to play with our ML models (no installation needed!)

Pinned Loading

  1. ChemSpaceAL ChemSpaceAL Public

    ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation

    Python 22 2

  2. DirectMultiStep DirectMultiStep Public

    DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis

    Python 26 2

  3. HAC-Net HAC-Net Public

    Forked from gregory-kyro/HAC-Net

    HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction

    Jupyter Notebook 1

  4. mdigest mdigest Public

    Forked from fmaschietto/mdigest

    Python

  5. T-ALPHA T-ALPHA Public

    Forked from gregory-kyro/T-ALPHA

    T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-learning for protein-specific alignment

    Jupyter Notebook

  6. MOSAIC MOSAIC Public

    Forked from haoteli/MOSAIC

    Multiple Optimized Specialists for AI-Driven Chemical Predictions

    Jupyter Notebook

Repositories

Showing 10 of 27 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…