Packages with last news in 2020 from Debian Tracker.
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Last news years Chemistry: 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 | adun.app | F | R | Molecular Simulator for GNUstep (GUI) | v0.81-14 | Debian Med Packaging Team | ||
| h | h | apbs | F | R | Adaptive Poisson Boltzmann Solver | v3.0.0+dfsg1-3 | Debichem Team | ||
| h | h | bkchem | F | R | Chemical structures editor | v0.13.0-6 | Debichem Team | ||
| h | h | cclib | F | R | Parsers and algorithms for computational chemistry | v1.6.2-2 | Debichem Team | ||
| non-free | h | h | cclib-data | F | R | Parsers and algorithms for computational chemistry (data files) | v1.6.2-2 | Debichem Team | |
| gone | h | h | chemfp | F | R | v1.1p1-2.1 | Debichem Team | ||
| h | h | chemtool | F | R | chemical structures drawing program | v1.6.14-6 | Debichem Team | ||
| h | h | comet-ms | F | R | Tandem mass spectrometry (MS/MS) search engine | v2019015+cleaned1-3 | Debichem Team | ||
| h | h | elpa | F | R | v2019.11.001-4 | Debichem Team | |||
| gone | h | h | fmcs | F | R | Find Maximum Common Substructure | v1.0-1 | Debichem Team | |
| h | h | ga | F | R | Distributed Shared-Memory Programming Environment (development) | v5.8-1 | Debichem Team | ||
| h | h | gamgi | F | R | General Atomistic Modelling Graphic Interface (GAMGI) | v0.17.3-3 | Debichem Team | ||
| h | h | gdis | F | R | molecular and crystal model viewer | v0.90-6 | Debichem Team | ||
| h | h | indigo | F | R | v1.2.3-3.1 | Debichem Team | |||
| h | h | jni-inchi | F | R | v0.8+dfsg-6 | Debichem Team | |||
| h | h | libmsnumpress | F | R | v1.0.0-7 | Debichem Team | |||
| h | h | libmstoolkit | F | R | v82-7 | Debichem Team | |||
| h | h | libpwiz | F | R | v3.0.18342-4 | Debichem Team | |||
| h | h | libpwizlite | F | R | v3.0.3-1 | Debichem Team | |||
| h | h | lutefisk | F | R | de novo interpretation of peptide CID spectra | v1.0.7+dfsg-7 | Debichem Team | ||
| h | h | maloc | F | R | v1.5-1 | Debichem Team | |||
| h | h | mmtf-python | F | R | binary encoding of biological structures (Python 3) | v1.1.2-3 | Debichem Team | ||
| h | h | mpqc3 | F | R | Massively Parallel Quantum Chemistry Program | v0.0~git20170114-4.1 | Debichem Team | ||
| h | h | openmx | F | R | package for nano-scale material simulations | v3.8.5+dfsg1-1 | Debian Science Maintainers | ||
| h | h | opsin | F | R | v2.5.0-1 | Debichem Team | |||
| h | h | packmol | F | R | Initial configurations for Molecular Dynamics Simulations | v20.010-1 | Debichem Team | ||
| h | h | rasmol | F | R | visualization of biological macromolecules | v2.7.6.0-2 | Debian Science Maintainers | ||
| h | h | r-cran-maldiquantforeign | F | R | GNU R package providing import/export routines for MALDIquant | v0.12-2 | Debian R Packages Maintainers | ||
| h | h | r-cran-mixtools | F | R | GNU R tools for analyzing finite mixture models | v1.2.0-1 | Debian R Packages Maintainers | ||
| h | h | r-cran-readbrukerflexdata | F | R | GNU R package to read Bruker Daltonics *flex format files | v1.8.5-3 | Debian R Packages Maintainers | ||
| h | h | r-cran-readmzxmldata | F | R | GNU R package to read mass spectrometry data in mzXML format | v2.8.1-4 | Debian R Packages Maintainers | ||
| h | h | r-other-amsmercury | F | R | efficient calculation of accurate masses and abundances of isotopic peaks | v1.3.0-4 | Debian R Packages Maintainers | ||
| h | h | r-other-curvefdp | F | R | estimation of confidence levels for peptide identifications | v2.0-6 | Debian R Packages Maintainers | ||
| h | h | r-other-iwrlars | F | R | least angle regression, lasso, positive lasso and forward stagewise | v0.9-5-4 | Debian R Packages Maintainers | ||
| h | h | r-other-nitpick | F | R | peak identification for mass spectrometry data | v2.0-7 | Debian R Packages Maintainers | ||
| h | h | scalapack | F | R | v2.1.0-4 | Debian Science Maintainers | |||
| h | h | toppic | F | R | Top-down proteoform identification and characterization (programs) | v1.3.0+dfsg1-4 | Debichem Team | ||
| h | h | viewmol | F | R | graphical front end for computational chemistry programs | v2.4.1-26 | Debichem Team | ||
| h | h | v-sim | F | R | Visualize atomic structures | v3.7.2-8 | Debian Science Maintainers | ||
| h | h | xcrysden | F | R | Crystalline and Molecular Structure Visualizer | v1.6.2-4 | Debichem Team |