DebiChem Project
Summary
A Debian Pure Blend is a Debian internal project which assembles a set of packages that might help users to solve certain tasks of their work. The list on the right shows the tasks of debichem.
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Ubuntu behind Debian unstable
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Unstable behind upstream

DebiChem Package Thermometer

Package stabletestingunstablestable-bpoexperimentalNEWUNRELEASEDupstreamtasks
abinit (PTS, VCS, UP) 9.6.2-19.10.4-39.10.4-39.11.6periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-93.0.8-93.0.8-93.0.7molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitemolecular-dynamics visualisation
avogadro (PTS, VCS, UP) 1.97.0-11.99.0-11.99.0-11.99.0visualisation input-generation-output-processing molecular-modelling
bagel (PTS, VCS, UP) 1.2.2-61.2.2-71.2.2-71.2.2molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-111.5.0+git20220524.d85d2ddinput-generation-output-processing visualisation molecular-modelling
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-30.14.0~pre4+git20211228-3view-edit-2d
btas (PTS, VCS, UP) 0.0+git20221014.147bf4d4-10.0+git20221014.147bf4d4-1development
c2x (PTS, VCS, UP) 2.40.e+ds-12.41.b+ds-22.41.b+ds-22.41.binput-generation-output-processing
cclib (PTS, VCS, UP) 1.6.2-21.8-11.8-11.8visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 2.8-22.9-12.9-12.9cheminformatics
chemicaltagger (PTS, VCS, UP) 1.6.2-21.6.2-21.6.2-21.6.2cheminformatics
chemps2 (PTS, VCS, UP) 1.8.12-11.8.12-3.11.8.12-3.1~exp11.8.12molecular-abinitio
chemtool (PTS, VCS, UP) 1.6.14-61.6.14-61.6.14-61.6.14view-edit-2d
comet-ms (PTS, VCS, UP) 2019015+cleaned1-32019015+cleaned1-42019015+cleaned1-42021010analytical-biochemistry
cp2k (PTS, VCS, UP) 2023.1-22023.2-22024.1semiempirical molecular-dynamics periodic-abinitio molecular-abinitio
cpptraj (PTS, VCS, UP) 5.1.0+dfsg-36.4.4molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.6.0-22.6.0-22.6.0development
dl-poly-classic (VCS, UP) 1.10+dfsg-1molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-65.5-6.15.5-6.15.5crystallography visualisation
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 8.4.30-19.2.12-19.2.12-19.4.2molecular-abinitio
elpa (PTS, VCS, UP) 2022.11.001-22022.11.001-22022.11.001-22023.11.001development
ergo (PTS, VCS, UP) 3.8-13.8-13.8-13.8.2molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-26.7-2periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.10-13.3.10-13.3.10-13.3.10development
freesasa (PTS, VCS, UP) 2.1.2-12.1.2-42.1.2-42.1.2analytical-biochemistry
gabedit (PTS, VCS, UP) 2.5.1+ds-12.5.1+ds-12.5.1visualisation input-generation-output-processing
galib (PTS, VCS, UP) 2.4.7-62.4.7-62.4.7-62.4.7development
gamgi (PTS, VCS, UP) 0.17.5-10.17.5-10.17.5visualisation crystallography
garlic (PTS, VCS, UP) 1.6-31.6-31.6-31.6visualisation
gausssum (PTS, VCS, UP) 3.0.2-23.0.2-23.0.2-23.0.2visualisation input-generation-output-processing
gdis (PTS, VCS, UP) 0.90-60.90-6visualisation
gdpc (PTS, VCS, UP) 2.2.5-152.2.5-162.2.5-160.No-Releasevisualisation
gemmi (PTS, VCS, UP) 0.5.7+ds-20.6.4+ds-10.6.4+ds-10.6.5crystallography
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-53.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.17-6.10.14.17-6.20.14.17-6.20.14.17crystallography view-edit-2d
gpaw (PTS, VCS, UP) 22.8.0-223.9.1-123.9.1-124.1.0periodic-abinitio
gromacs (PTS, VCS, UP) 2022.5-22023.4-22023.4-22024-12024molecular-dynamics
i2masschroq (PTS, VCS, UP) 0.4.54-1analytical-biochemistry
inchi (PTS, VCS, UP) 1.03+dfsg-41.03+dfsg-41.03+dfsg-4cheminformatics
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.2.1-12.2.1-42.2.1-4.12.2.1-4.1~exp2analytical-biochemistry
jmol (PTS, VCS, UP) 14.32.83+dfsg-214.32.83+dfsg-314.32.83+dfsg-314.32.83input-generation-output-processing visualisation
jni-inchi (PTS, VCS, UP) 0.8+dfsg-70.8+dfsg-70.8+dfsg-70.8cheminformatics
kalzium (PTS, VCS, UP) 22.12.3-122.12.3-122.12.3-123.08.5visualisation
lammps (PTS, VCS, UP) 20220106.git7586adbb6a+ds1-220240207+dfsg-120240207+dfsg-1.120240207+dfsg-1.1~exp120240207molecular-dynamics
lapack (PTS, VCS, UP) 3.11.0-23.12.0-33.12.0-33.12.0development
libint (PTS, VCS, UP) 1.2.1-61.2.1-61.2.1-6development
libint2 (PTS, VCS, UP) 2.7.2-12.7.2-12.7.2-1.12.7.2-1.1~exp12.8.2development
libmstoolkit (PTS, VCS, UP) 82-782-782-7.182-7.1~exp1analytical-biochemistry
libpwiz (PTS, VCS, UP) 3.0.18342-43.0.18342-43.0.18342-4.13.0.18342-4.1~exp1analytical-biochemistry
libpwizlite (PTS, VCS, UP) 3.0.4-13.0.5-23.0.5-2.13.0.5-2.1~exp3analytical-biochemistry
libtrexio (PTS, VCS, UP) 2.2.3-32.2.3-32.2.3-32.4.2development
libxc (PTS, VCS, UP) 5.2.3-15.2.3-15.2.3-16.2.2development
lutefisk (PTS, VCS, UP) 1.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7analytical-biochemistry
macromoleculebuilder (PTS, VCS, UP) 4.0.0+dfsg-24.0.0+dfsg-34.0.0+dfsg-34.0.0+dfsg-3.1~exp14.0.0molecular-modelling
madness (PTS, VCS, UP) 0.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-3development
massxpert (PTS, VCS, UP) 7.0.0-27.0.0-25.8.2analytical-biochemistry
massxpert2 (PTS, VCS, UP) 8.3.0-1analytical-biochemistry
minexpert2 (PTS, VCS, UP) 8.6.3-19.3.1-19.3.2-19.3.1-1analytical-biochemistry
mmtf-java (PTS, VCS, UP) 1.0.11-11.0.11-11.0.11-11.0.11crystallography
molds (PTS, VCS, UP) 0.3.1-10.3.1-10.3.1-10.3.1semiempirical
molmodel (PTS, VCS, UP) 3.1.0-23.1.0-43.1.0-43.1.0-4.1~exp13.1.0development
mopac (PTS, VCS, UP) 22.0.6+dfsg-122.1.1-222.1.1-222.1.1semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-61.15-61.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.141.151.151.16development
mpqc (PTS, VCS, UP) 2.3.1-222.3.1-222.3.1-222.3.1molecular-abinitio development
mpqc3 (PTS, VCS, UP) 0.0~git20170114-4.1molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-47.2.2-17.2.2-17.2.2molecular-abinitio periodic-abinitio molecular-dynamics
openbabel (PTS, VCS, UP) 3.1.1+dfsg-93.1.1+dfsg-93.1.1+dfsg-93.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2023.1.1+dfsg-12023.1.1+dfsg-12023.1.1+dfsg-12024.2.3cheminformatics
openmm (PTS, VCS, UP) 7.7.0+dfsg-98.0.0+dfsg-68.0.0+dfsg-68.1.0+dfsg-28.1.1development
openmolcas (PTS, VCS, UP) 22.10-123.10-124.02molecular-abinitio
openms (PTS, VCS, UP) 2.6.0+cleaned1-32.6.0+cleaned1-42.6.0+cleaned1-42.4.0-srcanalytical-biochemistry
openmx (PTS, VCS, UP) 3.8.5+dfsg1-13.9.9periodic-abinitio
openstructure (PTS, VCS, UP) 2.3.1-92.5.0-12.5.0-12.6.1-1~exp2.7.0molecular-modelling
opsin (PTS, VCS, UP) 2.7.0-22.8.0-12.8.0-12.8.0cheminformatics
oscar4 (PTS, VCS, UP) 5.2.0+dfsg-25.2.0+dfsg-25.2.0+dfsg-25.2.0cheminformatics
osra (PTS, VCS, UP) 2.1.3-32.1.3-32.1.3-32.1.3view-edit-2d cheminformatics
parmed (PTS, VCS, UP) 3.4.3+dfsg-14.2.2+dfsg-34.2.2+dfsg-34.2.2molecular-dynamics
pdb-tools (PTS, VCS, UP) 2.5.0-22.5.1-12.5.1-12.5.1crystallography
phonopy (PTS, VCS, UP) 2.17.1-12.21.2-12.21.2-12.21.2crystallography
prody (PTS, VCS, UP) 2.3.1+dfsg-32.4.1+dfsg-22.4.1molecular-dynamics
promod3 (PTS, VCS, UP) 3.2.1+ds-63.4.0+ds-13.4.0+ds-13.4.0molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-51.3.2+dfsg-51.9.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0-63.4.0development molecular-abinitio
pycifrw (PTS, VCS, UP) 4.4.4-34.4.6-24.4.6-24.4.6input-generation-output-processing
pymol (PTS, VCS, UP) 2.5.0+dfsg-12.5.0+dfsg-12.5.0+dfsg-12.5.0molecular-modelling
python-ase (PTS, VCS, UP) 3.22.1-33.22.1-43.22.1-43.22.1input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.14.0+dfsg-22023.6.0-3.12023.6.0-3.12023.6.0-3~bpo12+12023.10.0crystallography
python-pymzml (PTS, VCS, UP) 2.5.2+repack1-12.5.2+repack1-12.5.2+repack1-1analytical-biochemistry
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-150.4.1~cvs20081111-150.4.1~cvs20081111-150.4visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.22-11.22.2-11.22.2-11.22.2analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.13-10.14.1-10.14.1-10.14.1analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 2.0.0-12.0.0-12.0.0-12.0.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.9.0-11.9.2-11.9.2-11.9.2analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.2-12.8.3-12.8.3-12.8.3analytical-biochemistry
r-other-amsmercury (PTS, VCS, UP) 1.3.0-41.3.0-41.3.0-40.No-Siteanalytical-biochemistry
r-other-curvefdp (PTS, VCS, UP) 2.0-62.0-62.0-62.0analytical-biochemistry
r-other-iwrlars (PTS, VCS, UP) 0.9-5-40.9-5-40.9-5-40.No-Siteanalytical-biochemistry
r-other-nitpick (PTS, VCS, UP) 2.0-72.0-72.0-70.No-Siteanalytical-biochemistry
rasmol (PTS, VCS, UP) 2.7.6.0-32.7.6.0-32.7.6.0-32.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7visualisation
rdkit (PTS, VCS, UP) 202209.3-1202309.3-2202309.3-3202309.5cheminformatics
scalapack (PTS, VCS, UP) 2.2.1-22.2.1-32.2.1-32.2.1-4exp12.2.1development
shelxle (PTS, VCS, UP) 1.0.1472-11.0.1552-11.0.1552-11.0.1613crystallography visualisation
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-40.2.0+dfsg1-50.2.0+dfsg1-50.2.0cheminformatics
spglib (PTS, VCS, UP) 2.0.2-12.3.1-12.3.1-12.3.1development
tandem-mass (PTS, VCS, UP) 201702011-1201702011-1201702011-12017.02.01.4.zipanalytical-biochemistry
tiledarray (PTS, VCS, UP) 1.0.0-1development
toppic (PTS, VCS, UP) 1.5.3+dfsg1-11.5.3+dfsg1-11.5.3+dfsg1-11.7.2analytical-biochemistry
travis (PTS, VCS, UP) 220729-1220729-1220729-1220729input-generation-output-processing
v-sim (PTS, VCS, UP) 3.7.2-93.7.2-93.7.2-9visualisation
votca (PTS, VCS, UP) 2022.1-12023-12023-12024-12024molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-73.1.0+ds-73.1.0+ds-83.1.0periodic-abinitio
xbs (PTS, VCS, UP) 0-110-110-11visualisation
xcrysden (PTS, VCS, UP) 1.6.2-41.6.2-41.6.2-41.6.3~rc2input-generation-output-processing visualisation crystallography
xdrawchem (PTS, VCS, UP) 1.11.0-41.11.0-41.11.0-41.11.0view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16-105.16visualisation
xtb (PTS, VCS, UP) 6.5.1-36.6.1-16.6.1-16.6.1semiempirical