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| |p5-Chemistry-InternalCoords | | |p5-Chemistry-InternalCoords |
| |Represent the position of an atom using internal coordinates | | |Represent the position of an atom using internal coordinates |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/p5-Chemistry-InternalCoords/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://metacpan.org/release/Chemistry-InternalCoords]] | + | |[[File:1329059652.png|35px|link=File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/p5-Chemistry-InternalCoords/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://metacpan.org/release/Chemistry-InternalCoords]] |
| |- | | |- |
| |p5-Chemistry-Isotope | | |p5-Chemistry-Isotope |
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| |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/packmol/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=http://m3g.iqm.unicamp.br/packmol/home.shtml]] | | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/packmol/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=http://m3g.iqm.unicamp.br/packmol/home.shtml]] |
| |- | | |- |
− | |pcmsolver | + | | |
− | |API for the Polarizable Continuum Model
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/pcmsolver/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/PCMSolver/pcmsolver]] | + | |
| |- | | |- |
− | |py27-MDAnalysis | + | | |
− | |Python library to analyze molecular dynamics trajectories
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-MDAnalysis/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.mdanalysis.org]] | + | |
| |- | | |- |
− | |py27-MDAnalysisTests | + | | |
− | |Test code and the trajectory data for test cases of MDAnalysis
| + | |[[]] [[]] |
− | |[[File:1329059652.png|35px|link=https://www.mdanalysis.org]] | + | |
| |- | | |- |
− | |py27-PyQuante | + | | |
− | |Quantum chemistry in Python
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-PyQuante/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=http://pyquante.sourceforge.net/]] | + | |
| |- | | |- |
− | |py27-pymol | + | | |
− | |OpenGL-based molecular visualization system
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-pymol/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://pymol.org/2/]] | + | |
| |- | | |- |
− | |py37-MDAnalysis | + | | |
− | |Python library to analyze molecular dynamics trajectories
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-MDAnalysis/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.mdanalysis.org]] | + | |
| |- | | |- |
− | |py37-MDAnalysisTests | + | | |
− | |Test code and the trajectory data for test cases of MDAnalysis
| + | |[[]] [[]] |
− | |[[File:1329059652.png|35px|link=https://www.mdanalysis.org]] | + | |
| |- | | |- |
− | |py37-avogadrolibs | + | | |
− | |Python bindings for Avogadro2 chemistry libraries
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-avogadrolibs/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.openchemistry.org/projects/avogadro2/]] | + | |
| |- | | |- |
− | |py37-chainer-chemistry | + | | |
− | |Library for deep learning in biology and chemistry
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-chainer-chemistry/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/pfnet-research/chainer-chemistry]] | + | |
| |- | | |- |
− | |py37-chempy | + | | |
− | |Package useful for solving problems in chemistry
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-chempy/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/bjodah/chempy]] | + | |
| |- | | |- |
− | |py37-gpaw | + | | |
− | |DFT and beyond within the projector-augmented wave method in chemistry
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-gpaw/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://wiki.fysik.dtu.dk/gpaw/]] | + | |
| |- | | |- |
− | |py37-molmod | + | | |
− | |Collection of molecular modelling tools for python
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-molmod/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/molmod/molmod]] | + | |
| |- | | |- |
− | |py37-qcelemental | + | | |
− | |Essentials for quantum chemistry
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-qcelemental/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/MolSSI/QCElemental]] | + | |
| |- | | |- |
− | |py37-qcengine | + | | |
− | |Quantum chemistry program executor and IO standardizer (QCSchema)
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-qcengine/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/MolSSI/QCEngine]] | + | |
| |- | | |- |
− | |py37-qspin | + | | |
− | |Learn quantum spin and entanglement
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-qspin/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://bitbucket.org/donald_gavel/qspin]] | + | |
| |- | | |- |
− | |py37-rmf | + | | |
− | |Library to support reading and writing of Rich Molecular Format files
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-rmf/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://integrativemodeling.org/rmf/]] | + | |
| |- | | |- |
− | |py37-scoria | + | | |
− | |Lightweight molecule manipulation codebase
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/py-scoria/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://git.durrantlab.com/jdurrant/scoria]] | + | |
| |- | | |- |
− | |qbox | + | | |
− | |First-principles molecular dynamics code
| + | |[[]] [[]] |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/qbox/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=http://qboxcode.org/]] | + | |
− | |-
| + | |
− | |qmcpack
| + | |
− | |Many-body ab initio Quantum Monte Carlo code for quantum chemstry
| + | |
− | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/qmcpack/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.qmcpack.org/]]
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| !colspan="3"| | | !colspan="3"| |
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| !colspan="3"| | | !colspan="3"| |
| |- | | |- |
− | !colspan="3"|'''Back to ''' [[image:Icon Disti GhostBSD.png|50px|link=Science and Engineering]] '''Science and Engineering''' | + | !colspan="3"|'''Back to the''' [[image:Icon Disti GhostBSD.png|50px|link=Office Applications]]'''Office Applications''' |
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| |} | | |} |
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| [[Category:Station]] | | [[Category:Station]] |