py311-asap3
3.12.8_4Classical potentials for MD with ASE
ASAP is a calculator for doing large-scale classical molecular dynamics within the Campos Atomic Simulation Environment (ASE).
Origin: science/py-asap3
Category: science
Size: 4.00MiB
License: GPLv3
Maintainer: yuri@FreeBSD.org
Dependencies: 4 packages
Required by: 0 packages
Website: wiki.fysik.dtu.dk/asap
$
pkg install py311-asap3Dependencies (4)
More in science
py311-scipy1.11.1_4,1
Scientific tools for Pythonhdf51.12.2_2,1
Hierarchical Data Format library (from NCSA) (latest)py311-scikit-learn1.7.2
Machine learning algorithms for pythonlibaec1.1.4
Adaptive entropy coding librarynetcdf4.9.3
C library for machine-independent, array-oriented data accesspy311-h5py3.15.1
General-purpose Python interface to the HDF5 libraryp5-Chemistry-Mol0.40
Perl toolkit to describe moleculeslibxc6.2.2
Library of exchange-correlation functionals for DFTpy311-libpysal4.13.0
Core components of PySAL A library of spatial analysis functionspy311-dimod0.12.21
DWave: Shared API for QUBO/Ising samplers