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    21 repositories

    • nmr

      Public
      Python
      •
      MIT License
      •0•0•0•1•Updated Dec 20, 2024Dec 20, 2024

    • meld

      Public
      Modeling with limited data
      Python
      •
      Other
      •28•55•32•3•Updated Nov 15, 2024Nov 15, 2024

    • martini_openmm

      Public
      Python
      •
      GNU Lesser General Public License v3.0
      •14•51•4•2•Updated Apr 28, 2023Apr 28, 2023

    • meld-feedstock

      Public
      A conda-smithy repository for meld.
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Mar 26, 2022Mar 26, 2022

    • meld_singularity

      Public
      Singularity definition for meld
      0•0•0•0•Updated Nov 24, 2021Nov 24, 2021

    • calmodulin_pre_paper

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Jul 5, 2021Jul 5, 2021

    • sparse_noe

      Public
      Scripts for Sparse NOE paper
      MIT License
      •0•0•0•0•Updated Feb 10, 2021Feb 10, 2021

    • meld-pkg

      Public archive
      Scripts to create cuda-specific openmm and meld packages
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Jun 25, 2020Jun 25, 2020

    • BoltzmannGenerator

      Public
      An implementation of Boltzmann generators using pytorch.
      Python
      •
      MIT License
      •5•11•0•0•Updated Dec 2, 2019Dec 2, 2019

    • waterfall

      Public
      Python
      •
      GNU Lesser General Public License v3.0
      •0•0•4•0•Updated Oct 15, 2019Oct 15, 2019

    • sparse_nmr_analysis

      Public
      Sparse NMR Analysis
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Sep 13, 2019Sep 13, 2019

    • CamPRE

      Public
      HTML
      •
      MIT License
      •0•0•0•0•Updated Aug 29, 2019Aug 29, 2019

    • decompositions

      Public
      TeX
      •0•0•0•0•Updated Jan 1, 2019Jan 1, 2019

    • meldlogos

      Public
      Logos for MELD project
      GNU General Public License v3.0
      •0•0•0•0•Updated Jul 14, 2018Jul 14, 2018

    • hp_rpm

      Public
      RPM tests with HP lattice model
      Python
      •
      MIT License
      •0•0•0•0•Updated Jun 14, 2018Jun 14, 2018

    • reservoir

      Public
      Jupyter Notebook
      •0•0•0•0•Updated May 11, 2018May 11, 2018

    • adaptremd

      Public
      Adaptive REMD using SGD
      Jupyter Notebook
      •0•1•0•0•Updated Nov 15, 2017Nov 15, 2017

    • meld-openmm-plugin

      Public
      Meld plugin for OpenMM
      C++
      •6•3•3•0•Updated Mar 6, 2017Mar 6, 2017

    • conda-recipes

      Public
      conda build recipes for the Omnia project
      C
      •
      MIT License
      •37•2•0•0•Updated Feb 6, 2017Feb 6, 2017

    • homebrew-omnia

      Public
      Custom homebrew recipes for Omnia project
      Ruby
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jan 23, 2017Jan 23, 2017

    • ParmEd

      Public
      Parameter/topology editor and molecular simulator
      Python
      •149•0•0•0•Updated Jun 15, 2016Jun 15, 2016