Packages with last news in 2021 from Debian Tracker.
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Last news years Debichem Team: 2021 2020 2019 2018 2017 2016 2015 2013 2012| gone | not main | h | h | Debian Tracker | F | R | short description | version in Debian | Debian maintainer |
|---|---|---|---|---|---|---|---|---|---|
| h | h | abinit | F | R | package for electronic structure calculations | v9.6.1-1 | Debichem Team | ||
| h | h | aces3 | F | R | Advanced Concepts in Electronic Structure III | v3.0.8-8 | Debichem Team | ||
| h | h | avogadro | F | R | Molecular Graphics and Modelling System | v1.95.1-2 | Debichem Team | ||
| h | h | avogadrolibs | F | R | v1.95.1-6 | Debichem Team | |||
| h | h | bagel | F | R | Computational Chemistry Package | v1.2.2-2 | Debichem Team | ||
| h | h | c2x | F | R | converter between DFT electronic structure codes formats | v2.40+ds-1 | Debichem Team | ||
| h | h | chemical-mime-data | F | R | chemical MIME and file type support for desktops | v0.1.94-7.2 | Debichem Team | ||
| h | h | chemps2 | F | R | Executable to call libchemps2-3 from the command line | v1.8.10-2 | Debichem Team | ||
| h | h | cp2k | F | R | Ab Initio Molecular Dynamics | v9.1-1 | Debichem Team | ||
| h | h | dbcsr | F | R | Distributed Block Compressed Sparse Row matrix library | v2.1.0-1 | Debichem Team | ||
| h | h | debichem | F | R | v0.0.11 | Debichem Team | |||
| h | h | drawxtl | F | R | crystal structure viewer | v5.5-5 | Debichem Team | ||
| h | h | easychem | F | R | Draw high-quality molecules and 2D chemical formulas | v0.6-9 | Debichem Team | ||
| h | h | elkcode | F | R | All-Electron Density-Functional Electronic Structure Code | v6.3.2-2 | Debichem Team | ||
| h | h | espresso | F | R | v6.7-2 | Debichem Team | |||
| h | h | gabedit | F | R | graphical user interface to Ab Initio packages | v2.5.1+ds-1 | Debichem Team | ||
| h | h | gau2grid | F | R | v2.0.7-1 | Debichem Team | |||
| h | h | gelemental | F | R | Periodic Table viewer | v2.0.1-1 | Debichem Team | ||
| h | h | gemmi | F | R | library for structural biology - executable | v0.5.1+ds-1 | Debichem Team | ||
| h | h | ghemical | F | R | GNOME molecular modelling environment | v3.0.0-5 | Debichem Team | ||
| h | h | gnome-chemistry-utils | F | R | v0.14.17-6.1 | Debichem Team | |||
| h | h | gpaw | F | R | DFT and beyond within the projector-augmented wave method | v21.6.0-1 | Debichem Team | ||
| h | h | gromacs | F | R | Molecular dynamics simulator, with building and analysis tools | v2021.4-2 | Debichem Team | ||
| h | h | inchi | F | R | v1.03+dfsg-4 | Debichem Team | |||
| h | h | isospec | F | R | v2.1.3-1 | Debichem Team | |||
| h | h | jgromacs | F | R | v1.0-1.1 | Debichem Team | |||
| h | h | jmol | F | R | Molecular Viewer | v14.32.3+dfsg1-1 | Debichem Team | ||
| h | h | libecpint | F | R | Effective Core Potentials integration library (development files) | v1.0.5-2 | Debichem Team | ||
| h | h | libfplus | F | R | v0.2.13-1 | Debichem Team | |||
| h | h | libghemical | F | R | v3.0.0-4.3 | Debichem Team | |||
| h | h | libint | F | R | v1.2.1-6 | Debichem Team | |||
| h | h | libint2 | F | R | v2.6.0-13 | Debichem Team | |||
| h | h | libodsstream | F | R | v0.7.11-1 | Debichem Team | |||
| h | h | libpappsomspp | F | R | v0.8.39-1 | Debichem Team | |||
| h | h | librdata | F | R | v0~20210223+git-85757dc6-2 | Debichem Team | |||
| h | h | libwildmagic | F | R | v5.17+cleaned1-6 | Debichem Team | |||
| h | h | libxc | F | R | v5.1.7-1 | Debichem Team | |||
| h | h | macromoleculebuilder | F | R | v3.5+dfsg-4 | Debichem Team | |||
| h | h | madness | F | R | Numerical Environment for Scientific Simulation (development files) | v0.10.1+git20200818.eee5fd9f-2 | Debichem Team | ||
| h | h | massxpert | F | R | polymer chemistry modelling and mass spectrometry data simulation (runtime) | v6.0.2-1 | Debichem Team | ||
| h | h | mdtraj | F | R | v1.9.6-3 | Debichem Team | |||
| h | h | minexpert2 | F | R | MS^n mass spectrometric data visualization and mining (runtime) | v8.1.1-1 | Debichem Team | ||
| h | h | mmtf-java | F | R | Java API for macromolecular transmission format encoder/decoder | v1.0.10-1 | Debichem Team | ||
| h | h | molequeue | F | R | Desktop integration of high performance computing resources | v0.9.0-1 | Debichem Team | ||
| h | h | molmodel | F | R | v3.0.113.gd05a5b6-1 | Debichem Team | |||
| h | h | mpqc | F | R | Massively Parallel Quantum Chemistry Program | v2.3.1-21 | Debichem Team | ||
| h | h | msxpertsuite | F | R | mass spectrometry software suite - metapackage | v5.8.9-1 | Debichem Team | ||
| h | h | nwchem | F | R | High-performance computational chemistry software | v7.0.2-1 | Debichem Team | ||
| h | h | openbabel | F | R | Chemical toolbox utilities (cli) | v3.1.1+dfsg-6 | Debichem Team | ||
| h | h | opendrop | F | R | fully-featured pendant drop tensiometry software | v3.3.1-2 | Debichem Team | ||
| h | h | openmm | F | R | v7.6.0+dfsg-1 | Debichem Team | |||
| h | h | openmolcas | F | R | Quantum chemistry software package | v20.10-2 | Debichem Team | ||
| h | h | openms | F | R | package for LC/MS data management and analysis | v2.6.0+cleaned1-3 | Debichem Team | ||
| h | h | openstructure | F | R | Open-Source Computational Structural Biology Framework | v2.2.0-9 | Debichem Team | ||
| h | h | oscar4 | F | R | automated annotation of chemistry in scientific articles | v5.1.1+dfsg-1 | Debichem Team | ||
| h | h | phonopy | F | R | v2.12.0-2 | Debichem Team | |||
| h | h | psi4 | F | R | Quantum Chemical Program Suite | v1:1.3.2+dfsg-2 | Debichem Team | ||
| h | h | pymatgen | F | R | v2022.0.17+dfsg1-1 | Debichem Team | |||
| h | h | pymol | F | R | Molecular Graphics System | v2.5.0+dfsg-1 | Debichem Team | ||
| h | h | python-ase | F | R | v3.22.1-1 | Debichem Team | |||
| h | h | python-griddataformats | F | R | Handling volumetric data in Python | v0.6.0-1 | Debichem Team | ||
| h | h | python-gsd | F | R | v2.5.0-1 | Debichem Team | |||
| h | h | python-pymzml | F | R | v2.4.7-3 | Debichem Team | |||
| h | h | qcelemental | F | R | Periodic table, physical constants, and molecule parsing for quantum chemistry | v0.23.0+dfsg-1 | Debichem Team | ||
| h | h | qcengine | F | R | Quantum chemistry program executor and IO standardizer | v0.20.0-1 | Debichem Team | ||
| h | h | qutemol | F | R | interactive visualization of macromolecules | v0.4.1~cvs20081111-14 | Debichem Team | ||
| h | h | rdkit | F | R | v202109.2-1 | Debichem Team | |||
| h | h | shelxle | F | R | graphical user interface for SHELXL | v1.0.1346-1 | Debichem Team | ||
| h | h | tiledarray | F | R | Block-Sparse Tensor Library (development files) | v0.6.0-5.2 | Debichem Team | ||
| h | h | travis | F | R | trajectory analyzer and visualizer | v210521-1 | Debichem Team | ||
| h | h | votca-csg | F | R | VOTCA's coarse-graining engine | v2021.2-1 | Debichem Team | ||
| h | h | votca-tools | F | R | VOTCA's tools library, helper binaries | v2021.2-1 | Debichem Team | ||
| h | h | votca-xtp | F | R | VOTCA's exciton transport engine | v2021.2-1 | Debichem Team | ||
| h | h | xmakemol | F | R | program for visualizing atomic and molecular systems | v5.16-10 | Debichem Team | ||
| h | h | xtpcpp | F | R | C++ version of X!TandemPipeline | v0.4.43-1 | Debichem Team |