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@batistagroup

Batista Group

Yale University

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

  1. ChemSpaceAL ChemSpaceAL Public

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

    Python 14

  2. 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

    Python 1

  3. mdigest mdigest Public

    Forked from fmaschietto/mdigest

    Python

  4. DirectMultiStep DirectMultiStep Public

    DirectMultiStep: Direct Route Generation for Multi-Step Retrosynthesis

    Python 3

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