Simulaciones moleculares reproducibles con la ayuda de Python
34 min

Simulaciones moleculares reproducibles con la ayuda de Python

PyCon - PyCon US 2023
Iván Pulido
python molecular-dynamics scientific-computing openmm openmmtools perses biomolecules machine-learning drug-discovery computational-chemistry protein-databank force-fields
Reproducible molecular simulations with Python
31 min

Reproducible molecular simulations with Python

PyCon - PyCon US 2023
Iván Pulido
python molecular-dynamics simulations scientific-computing openmm machine-learning ai reproducibility computational-chemistry computational-physics