Skip to content
View carlesperez94's full-sized avatar

Highlights

  • Pro
Block or Report

Block or report carlesperez94

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Popular repositories

  1. frag_pele frag_pele Public

    FragPELE, 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 33 12

  2. lib_prep lib_prep Public

    Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

    Python 8 7

  3. covalent_linker covalent_linker Public

    Python 1

  4. AdaptivePELE AdaptivePELE Public

    Forked from BSC-CNS-EAPM/AdaptivePELE

    AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

    Python

  5. PELERunner PELERunner Public

    Python program to run several PELE simulations in a very authomaticall way

    Python

  6. pele_platform pele_platform Public

    Forked from nostrumbiodiscovery/pele_platform

    Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]

    Python