daviddesancho Goto Github PK
Name: David De Sancho
Type: User
Company: University of the Basque Country
Location: Donostia - San Sebastián
David De Sancho's Projects
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
afmtools
bestmsm
NUM_THREADS
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
fourstate
ghfriction
ibm3202
Google Colab Tutorials for IBM3202
jobs
mastermsm
Python package for generating Markov state models
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
openmm-recipes
Scripts for running simulations using OpenMM
parent
PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems
pdbreader
A general utility to parse PDB files and do interesting stuff with them
prefur
Prediction of folding and unfolding rates of proteins
prestgara
python-ecology-lesson
:page_with_curl: Data Carpentry Python lessons on ecology.
quantumworld
rc_ptp
Reaction coordinate optimization in python
references
repository with bibtex references for all my papers
repeatdesigner
repeats
smfsmodels
tensorflow
Computation using data flow graphs for scalable machine learning
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