Skip to content
@ADicksonLab

ADicksonLab

Popular repositories Loading

  1. wepy wepy Public

    Weighted Ensemble simulation framework in Python

    Python 51 20

  2. CSNAnalysis CSNAnalysis Public

    Tools for creating, analyzing and visualizing Conformation Space Networks

    Python 16 3

  3. OpenRXN OpenRXN Public

    A free, open-source tool for modeling chemical reaction networks in Python

    Python 12 2

  4. ml4md-jb ml4md-jb Public

    Jupyter book and content for "Machine Learning for Molecular Dynamics" course

    Jupyter Notebook 10 3

  5. flexibletopology flexibletopology Public

    ML-based molecular representation models using PyTorch

    Python 10 3

  6. mastic mastic Public

    Multi-Atom Structure/Selection Toolkit with Interaction Capabilities

    Python 9 1

Repositories

Showing 10 of 26 repositories
  • AGDIFF Public

    Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction

    ADicksonLab/AGDIFF’s past year of commit activity
    Python 2 MIT 0 0 1 Updated Oct 15, 2024
  • mlforce_ft Public
    ADicksonLab/mlforce_ft’s past year of commit activity
    C++ 0 0 0 0 Updated Sep 27, 2024
  • wepy Public

    Weighted Ensemble simulation framework in Python

    ADicksonLab/wepy’s past year of commit activity
    Python 51 MIT 20 33 2 Updated Sep 6, 2024
  • flexibletopology Public

    ML-based molecular representation models using PyTorch

    ADicksonLab/flexibletopology’s past year of commit activity
    Python 10 MIT 3 0 0 Updated Jul 19, 2024
  • geomm Public

    Mirror of main geomm repository. Simple and stupid library for strictly geometric operations (zero-knowledge of topology) common to computational biology and chemistry. https://adicksonlab.github.io/geomm/

    ADicksonLab/geomm’s past year of commit activity
    Python 4 MIT 1 0 7 Updated Jul 12, 2024
  • OpenRXN Public

    A free, open-source tool for modeling chemical reaction networks in Python

    ADicksonLab/OpenRXN’s past year of commit activity
    Python 12 MIT 2 0 0 Updated Jan 16, 2024
  • ClassicalGSG Public

    A new logP predictor method using GSG and NNs

    ADicksonLab/ClassicalGSG’s past year of commit activity
    Python 8 MIT 1 1 0 Updated Oct 12, 2023
  • openmm_systems Public

    Collection of premade molecular systems for use with OpenMM

    ADicksonLab/openmm_systems’s past year of commit activity
    Python 3 MIT 0 0 5 Updated Dec 8, 2022
  • CSNAnalysis Public

    Tools for creating, analyzing and visualizing Conformation Space Networks

    ADicksonLab/CSNAnalysis’s past year of commit activity
    Python 16 MIT 3 2 0 Updated Aug 31, 2022
  • mlforce Public

    A PyTorch OpenMM plugin to generate forces for Flexible Topology simulations

    ADicksonLab/mlforce’s past year of commit activity
    C++ 4 1 0 0 Updated May 15, 2022
View all 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…