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@NBDsoftware

Nostrum Biodiscovery Software

NBD combines in-house innovative technologies with deep industrial expertise in biomolecular modeling and leads several successful drug discovery projects.

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  1. 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

  2. miscellaneous miscellaneous Public

    miscellaneous of python scripts for drug discovery

    Python

  3. wjelement wjelement Public

    C++ librayr for PELE

    C

  4. media media Public

  5. 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

  6. PELEpharmacophore PELEpharmacophore Public

    Python

Repositories

Showing 10 of 15 repositories
  • biobb_workflows Public
    NBDsoftware/biobb_workflows’s past year of commit activity
    Python 0 0 1 0 Updated Jul 19, 2024
  • mlcolvar Public Forked from luigibonati/mlcolvar

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

    NBDsoftware/mlcolvar’s past year of commit activity
    Python 0 MIT 24 0 0 Updated Jul 18, 2024
  • peleffy Public Forked from martimunicoy/peleffy

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

    NBDsoftware/peleffy’s past year of commit activity
    Python 0 MIT 8 0 0 Updated Mar 26, 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

    NBDsoftware/webapp_demo1’s past year of commit activity
    Python 0 GPL-2.0 0 0 0 Updated Nov 9, 2023
  • nbdsuite_issues Public

    Issue tracker of the NBDSuite web app

    NBDsoftware/nbdsuite_issues’s past year of commit activity
    0 0 0 0 Updated Oct 6, 2023
  • biobb_pydock Public
    NBDsoftware/biobb_pydock’s past year of commit activity
    C 0 Apache-2.0 0 0 0 Updated May 18, 2023
  • wjelement Public

    C++ librayr for PELE

    NBDsoftware/wjelement’s past year of commit activity
    C 0 MIT 0 0 0 Updated Oct 11, 2022
  • nbd_suite_fe Public
    NBDsoftware/nbd_suite_fe’s past year of commit activity
    Python 0 0 0 0 Updated Sep 21, 2022
  • 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

    NBDsoftware/frag_pele’s past year of commit activity
    Python 1 MIT 12 0 0 Updated Sep 5, 2022
  • alphafold Public Forked from google-deepmind/alphafold

    Open source code for AlphaFold.

    NBDsoftware/alphafold’s past year of commit activity
    Python 0 Apache-2.0 2,176 0 0 Updated Aug 12, 2022
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