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@NBDsoftware

Nostrum Biodiscovery Software

Nostrum combines in-house innovative technologies with deep industrial expertise in biomolecular modeling and leads several successful drug discovery project

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  1. deep_cartograph deep_cartograph Public

    Python 2

  2. frag_pele frag_pele Public

    Forked from carlesperez94/frag_pele

    FrAG, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space

    Python 1

  3. miscellaneous miscellaneous Public

    miscellaneous of python scripts for drug discovery

    Python

  4. wjelement wjelement Public

    C++ librayr for PELE

    C

  5. media media Public

  6. peleffy peleffy Public

    Forked from martimunicoy/peleffy

    The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

    Python

Repositories

Showing 10 of 19 repositories
  • enterovirus Public Forked from ValldHebron-Bioinformatics/enterovirus
    Nextflow 0 1 0 0 Updated Apr 15, 2025
  • deep_cartograph Public
    Python 2 0 0 0 Updated Apr 15, 2025
  • biobb_workflows Public
    Python 0 0 1 0 Updated Apr 14, 2025
  • IndustryBenchmarks2024 Public Forked from OpenFreeEnergy/IndustryBenchmarks2024

    Repository for the 2024 OpenFE industry benchmark efforts

    Python 0 MIT 19 0 0 Updated Apr 2, 2025
  • cinnabar Public Forked from OpenFreeEnergy/cinnabar

    Package for consistent reporting of relative free energy results

    Python 0 MIT 13 0 0 Updated Mar 31, 2025
  • peleffy Public Forked from martimunicoy/peleffy

    The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

    Python 0 MIT 8 0 0 Updated Mar 3, 2025
  • mlcolvar Public Forked from luigibonati/mlcolvar

    A unified framework for machine learning collective variables for enhanced sampling simulations

    Python 0 MIT 27 0 0 Updated Oct 30, 2024
  • webapp_demo1 Public

    This package contains the analysis script and the raw data to reproduce the results from the first demo of Nostrum's web app

    Python 0 GPL-2.0 0 0 0 Updated Nov 9, 2023
  • nbdsuite_issues Public

    Issue tracker of the NBDSuite web app

    0 0 0 0 Updated Oct 6, 2023
  • biobb_pydock Public
    C 0 Apache-2.0 0 0 0 Updated May 18, 2023
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