Skip to content
@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 Loading

  1. ChemSpaceAL ChemSpaceAL Public

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

    Python 20 2

  2. DirectMultiStep DirectMultiStep Public

    DirectMultiStep: Direct Route Generation for Multi-Step Retrosynthesis

    Python 8

  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 15 repositories
  • MOSAIC Public Forked from haoteli/MOSAIC

    Multiple Optimized Specialists for AI-Driven Chemical Predictions

    batistagroup/MOSAIC’s past year of commit activity
    Jupyter Notebook 0 3 0 0 Updated Feb 22, 2025
  • Quantum-Transformer Public Forked from anthonysmaldone/Quantum-Transformer

    This is a repository containing code for a hybrid quantum-classical transformer model from the paper: A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation.

    batistagroup/Quantum-Transformer’s past year of commit activity
    Python 0 MIT 2 0 0 Updated Feb 21, 2025
  • knowledgebase Public
    batistagroup/knowledgebase’s past year of commit activity
    2 0 1 0 Updated Feb 21, 2025
  • python-template Public template
    batistagroup/python-template’s past year of commit activity
    Python 2 MIT 0 2 0 Updated Feb 14, 2025
  • mdigest Public Forked from fmaschietto/mdigest
    batistagroup/mdigest’s past year of commit activity
    Python 0 GPL-3.0 10 0 0 Updated Feb 13, 2025
  • 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

    batistagroup/HAC-Net’s past year of commit activity
    Jupyter Notebook 1 MIT 8 0 0 Updated Feb 13, 2025
  • CardioGenAI Public Forked from gregory-kyro/CardioGenAI

    CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability

    batistagroup/CardioGenAI’s past year of commit activity
    Python 0 MIT 4 0 0 Updated Feb 13, 2025
  • DirectMultiStep Public

    DirectMultiStep: Direct Route Generation for Multi-Step Retrosynthesis

    batistagroup/DirectMultiStep’s past year of commit activity
    Python 8 MIT 0 0 0 Updated Feb 1, 2025
  • 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

    batistagroup/T-ALPHA’s past year of commit activity
    Jupyter Notebook 0 MIT 4 0 0 Updated Jan 31, 2025
  • ChemSpaceAL Public

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

    batistagroup/ChemSpaceAL’s past year of commit activity
    Python 20 MIT 2 0 0 Updated Jul 23, 2024

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…