David De Sancho's repositories
2018-06-27-cfmehu
Software Carpentry Workshop - San Sebastian 2018
Academia
Este repositorio debe ser el punto de partida y encuentro para cualquier investigador o estudiante que quiera comenzar a trabajar con/en la UIBCDF. Si has caído aquí por otro motivo y este material te es útil, eres más que bienvenido a usarlo e interaccionar con nosotros.
AdaptiveMasterMSM
Adaptive sampling implementation interacting with MasterMSM
dmol-book
Deep learning for molecules and materials book
Docking
Files for Eider San Sebastián's lecture on the BioKT Discussion Group
force_fields
Force fields in various formats
openmm-recipes
Scripts for running simulations using OpenMM
PARENT
PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems
python-ecology-lesson
:page_with_curl: Data Carpentry Python lessons on ecology.
references
repository with bibtex references for all my papers
tensorflow
Computation using data flow graphs for scalable machine learning