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  1. molflux molflux Public

    A foundational package for molecular predictive modelling

    Python 94 14

  2. abodybuilder3 abodybuilder3 Public

    Python 74 20

  3. physicsml physicsml Public

    A package for all physics based/related models

    Python 54 4

  4. plif_validity plif_validity Public

    Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"

    Jupyter Notebook 19 2

  5. ab-characterisation ab-characterisation Public

    Python 14 3

  6. rdvc rdvc Public

    Python 10 3

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  • biosimspace Public Forked from OpenBioSim/biosimspace

    An interoperable Python framework for biomolecular simulation.

    Exscientia/biosimspace’s past year of commit activity
    Python 1 GPL-3.0 19 0 0 Updated Jan 10, 2025
  • abodybuilder3 Public
    Exscientia/abodybuilder3’s past year of commit activity
    Python 74 Apache-2.0 20 8 0 Updated Oct 23, 2024
  • molflux Public

    A foundational package for molecular predictive modelling

    Exscientia/molflux’s past year of commit activity
    Python 94 MIT 14 0 0 Updated Oct 16, 2024
  • ab-characterisation Public
    Exscientia/ab-characterisation’s past year of commit activity
    Python 14 MIT 3 0 0 Updated Oct 5, 2024
  • plif_validity Public

    Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"

    Exscientia/plif_validity’s past year of commit activity
    Jupyter Notebook 19 MIT 2 0 0 Updated Oct 2, 2024
  • low-sim-pdbbind Public

    Code for paper "Improving generalisability of 3D binding affinity models in low data regimes"

    Exscientia/low-sim-pdbbind’s past year of commit activity
    Python 7 MIT 1 0 0 Updated Sep 18, 2024
  • physicsml Public

    A package for all physics based/related models

    Exscientia/physicsml’s past year of commit activity
    Python 54 MIT 4 1 0 Updated Sep 12, 2024
  • rdvc-demo-project Public
    Exscientia/rdvc-demo-project’s past year of commit activity
    Python 1 7 0 1 Updated Aug 19, 2024
  • StableNetGuardOwl Public

    Perform stability tests for Neural Network Potentials

    Exscientia/StableNetGuardOwl’s past year of commit activity
    Python 8 MIT 0 3 1 Updated Jun 17, 2024
  • rdvc Public
    Exscientia/rdvc’s past year of commit activity
    Python 10 MIT 3 0 0 Updated Oct 31, 2023
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