Loading devtools/conda-recipe/mdtraj/meta.yaml +4 −0 Original line number Diff line number Diff line Loading @@ -52,6 +52,10 @@ about: license: LGPL-2.1 summary: "A modern, open library for the analysis of molecular dynamics trajectories" description: | This is a build of MDTraj without openmp. This is needed to run on older linux kernels alongside tensorflow 1.4.0 from conda-forge. Full discussion https://github.com/deepchem/deepchem/issues/960 MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories and perform a variety of analyses, including fast RMSD, solvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj Loading Loading
devtools/conda-recipe/mdtraj/meta.yaml +4 −0 Original line number Diff line number Diff line Loading @@ -52,6 +52,10 @@ about: license: LGPL-2.1 summary: "A modern, open library for the analysis of molecular dynamics trajectories" description: | This is a build of MDTraj without openmp. This is needed to run on older linux kernels alongside tensorflow 1.4.0 from conda-forge. Full discussion https://github.com/deepchem/deepchem/issues/960 MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories and perform a variety of analyses, including fast RMSD, solvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj Loading
