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@GT4SD Generative Toolkit 4 Scientific Discovery

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    21 repositories

    • gt4sd-core

      Public
      GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
      pythonmachine-learningdeep-learning
      pythonmachine-learningdeep-learninggenerative-models
      Jupyter Notebook
      •
      MIT License
      •81•374•2•0•Updated Sep 18, 2025Sep 18, 2025

    • molecular-design

      Public
      Generative AI pipeline for target-based molecular design
      Python
      •
      MIT License
      •4•9•0•0•Updated Jul 29, 2025Jul 29, 2025

    • lm-assistant-for-biocatalysis

      Public
      This project focuses on streamlining and automating key tasks in protein modeling, optimization, and the design of experiments for biocatalyzed reactions
      Python
      •
      MIT License
      •1•5•0•0•Updated Mar 11, 2025Mar 11, 2025

    • enzeptional

      Public
      Enzeptional stand-alone python package
      Python
      •
      MIT License
      •1•0•0•0•Updated Oct 24, 2024Oct 24, 2024

    • he-compliant-approximation

      Public
      Homomorphic encryption compliant learnable approximation
      Python
      •
      MIT License
      •2•3•0•0•Updated Sep 26, 2024Sep 26, 2024

    • multitask_text_and_chemistry_t5

      Public
      Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
      generative-modellanguage-modelmultidomain
      generative-modellanguage-modelmultidomainmultitask-learning
      Jupyter Notebook
      •
      MIT License
      •1•48•0•0•Updated Sep 9, 2024Sep 9, 2024

    • gt4sd-trainer-hf-pl

      Public
      Python
      •
      MIT License
      •1•1•0•0•Updated Sep 3, 2024Sep 3, 2024

    • mtl4ad

      Public
      Repository to fine-tune various LLMs architectures for AD on a multi-task datasets.
      Python
      •
      MIT License
      •0•1•0•1•Updated Aug 12, 2024Aug 12, 2024

    • reinvent_models

      Public
      GT4SD fork of Reinvent Models
      Python
      •
      MIT License
      •4•2•0•0•Updated Jun 20, 2024Jun 20, 2024

    • zero-shot-bert-adapters

      Public
      Implementation of Z-BERT-A: a zero-shot pipeline for unknown intent detection.
      nlpdeep-learningtransformers
      nlpdeep-learningtransformersintentpytorchbertzero-shotintent-classificationintent-detectionzero-shot-classification
      Python
      •
      MIT License
      •10•44•3•0•Updated Jun 13, 2023Jun 13, 2023

    • guacamol_baselines

      Public
      Baselines models for GuacaMol benchmarks
      Python
      •
      MIT License
      •38•0•0•0•Updated Apr 12, 2023Apr 12, 2023

    • moses

      Public
      Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
      Python
      •
      MIT License
      •274•1•0•0•Updated Apr 12, 2023Apr 12, 2023

    • molecule-generation

      Public
      Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
      Python
      •
      MIT License
      •46•2•0•0•Updated Mar 20, 2023Mar 20, 2023

    • gt4sd-molformer

      Public
      Python
      •
      MIT License
      •2•0•0•0•Updated Mar 17, 2023Mar 17, 2023

    • .github

      Public
      Special repository hosting the organization profile.
      MIT License
      •1•0•0•0•Updated Feb 14, 2023Feb 14, 2023

    • domain-adaptive-patent-classifier

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 23, 2022Nov 23, 2022

    • molgx-core

      Public
      IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.
      Jupyter Notebook
      •
      MIT License
      •3•15•1•0•Updated Oct 26, 2022Oct 26, 2022

    • pinns-experiments

      Public
      Python
      •
      MIT License
      •0•2•0•0•Updated Sep 1, 2022Sep 1, 2022

    • TDC

      Public
      Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
      Jupyter Notebook
      •
      MIT License
      •211•0•0•0•Updated Jul 14, 2022Jul 14, 2022

    • reinvent-models

      Public
      Python
      •
      Apache License 2.0
      •11•0•0•0•Updated Jul 13, 2022Jul 13, 2022

    • scipy_proceedings

      Public
      Tools used to generate the SciPy conference proceedings
      TeX
      •
      Other
      •568•0•0•0•Updated Jul 11, 2022Jul 11, 2022
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