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Package Name Access Summary Updated
openff-qcsubmit public No Summary 2023-06-16
propertyestimator public No Summary 2023-06-16
perses public Experiments with expanded ensemble simulation to explore chemical and mutational space 2023-06-16
openforcefield public No Summary 2023-06-16
nglview public IPython widget to interactively view molecular structures and trajectories. 2023-06-16
openpathsampling-dev None OpenPathSampling: A python package to do path sampling simulations 2023-06-16
openmm None A high performance toolkit for molecular simulation. 2023-06-16
msmbuilder None MSMBuilder: Statistical models for biomolecular dynamics 2023-06-16
mdtraj None A modern, open library for the analysis of molecular dynamics trajectories 2023-06-16
pdbfixer None PDBFixer fixes problems in PDB files to prepare them for molecular simulation. 2023-06-16
fftw3f None The fastest Fourier transform in the west. 2023-06-16

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