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) 9.6.2-19.10.4-310.3.0periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-9molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitevisualisation molecular-dynamics
avogadro (PTS, VCS, UP) 1.97.0-11.99.0-11.99.0-11.99.0visualisation molecular-modelling input-generation-output-processing
bagel (PTS, VCS, UP) 1.2.2-61.2.2-81.2.2-81.2.2molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-111.5.0+git20220524.d85d2ddmolecular-modelling input-generation-output-processing visualisation
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-40.14.0~pre4+git20211228-4view-edit-2d
btas (PTS, VCS, UP) 0.0+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) 1.6.2-21.8-11.8-11.8.1visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 2.8-22.9-12.9-12.9cheminformatics
chemicaltagger (PTS, VCS, UP) 1.6.2-21.6.2-41.6.2-41.6.2cheminformatics
chemps2 (PTS, VCS, UP) 1.8.12-11.8.12-3.11.8.12molecular-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+cleaned1-4.12019015+cleaned1-4.12021010analytical-biochemistry
cp2k (PTS, VCS, UP) 2023.1-22023.2-22024.3molecular-abinitio molecular-dynamics periodic-abinitio semiempirical
cpptraj (PTS, VCS, UP) 5.1.0+dfsg-45.1.0+dfsg-46.4.4molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.6.0-22.6.0-22.7.0-rc2development
dl-poly-classic (VCS, UP) 1.10+dfsg-1molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-65.5-6.15.5-6.15.5visualisation crystallography
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 8.4.30-19.6.8-110.1.15molecular-abinitio
elpa (PTS, VCS, UP) 2022.11.001-22022.11.001-32022.11.001-32024.05.001development
ergo (PTS, VCS, UP) 3.8-13.8.2-13.8.2molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-3periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.10-13.3.10-13.3.10-23.3.10development
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-12.5.1input-generation-output-processing visualisation
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) 3.0.2-23.0.2-23.0.2-23.0.2input-generation-output-processing visualisation
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-20.6.5+ds-20.6.5+ds-20.6.7crystallography
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-53.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.17-6.10.14.17-6.20.14.17crystallography view-edit-2d
gpaw (PTS, VCS, UP) 22.8.0-224.6.0-124.6.0-124.6.0periodic-abinitio
gromacs (PTS, VCS, UP) 2022.5-22024.3-22024.4-12024.4molecular-dynamics
inchi (PTS, VCS, UP) 1.03+dfsg-41.07.1+dfsg-41.07.1+dfsg-41.07.1cheminformatics
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.2.1-12.2.1-4.12.2.1-4.1analytical-biochemistry
jmol (PTS, VCS, UP) 14.32.83+dfsg-216.2.33+dfsg-116.2.33+dfsg-116.2.37input-generation-output-processing visualisation
jni-inchi (PTS, VCS, UP) 0.8+dfsg-70.8+dfsg-80.8+dfsg-80.8cheminformatics
kalzium (PTS, VCS, UP) 22.12.3-123.08.5-123.08.5-124.08.2-124.08.2visualisation
lammps (PTS, VCS, UP) 20220106.git7586adbb6a+ds1-220240207+dfsg-1.120240829molecular-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) 2.7.2-12.7.2-1.12.7.2-1.12.9.0development
libmstoolkit (PTS, VCS, UP) 82-782-7.282-7.2analytical-biochemistry
libpwiz (PTS, VCS, UP) 3.0.18342-43.0.18342-4.1analytical-biochemistry
libpwizlite (PTS, VCS, UP) 3.0.4-13.0.8-13.0.8-1analytical-biochemistry
libtrexio (PTS, VCS, UP) 2.2.3-32.2.3-32.2.3-32.5.0development
libxc (PTS, VCS, UP) 5.2.3-15.2.3-15.2.3-1development
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-44.0.0+dfsg-44.0.0+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) 7.0.0-25.8.2analytical-biochemistry
massxpert2 (PTS, VCS, UP) 8.5.0-1analytical-biochemistry
minexpert2 (PTS, VCS, UP) 8.6.3-19.6.0-19.6.0-1analytical-biochemistry
mmtf-java (PTS, VCS, UP) 1.0.11-11.0.11-11.0.11-11.0.11crystallography
molds (PTS, VCS, UP) 0.3.1-10.3.1-20.3.1semiempirical
molmodel (PTS, VCS, UP) 3.1.0-23.1.0-4.13.1.0-4.13.1.0development
mopac (PTS, VCS, UP) 22.0.6+dfsg-122.1.1-222.1.1-222.1.1semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-71.15-71.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.141.171.17development
mpqc (PTS, VCS, UP) 2.3.1-222.3.1-222.3.1development molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-47.2.2-27.2.3-67.2.3molecular-dynamics periodic-abinitio molecular-abinitio
openbabel (PTS, VCS, UP) 3.1.1+dfsg-93.1.1+dfsg-113.1.1+dfsg-113.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2023.1.1+dfsg-12023.1.1+dfsg-12023.1.1+dfsg-12024.11.1cheminformatics
openmm (PTS, VCS, UP) 7.7.0+dfsg-98.1.2+dfsg-18.1.2+dfsg-18.2.0development
openmolcas (PTS, VCS, UP) 22.10-123.10-1molecular-abinitio
openms (PTS, VCS, UP) 2.6.0+cleaned1-32.6.0+cleaned1-42.6.0+cleaned1-42.4.0-srcanalytical-biochemistry
openstructure (PTS, VCS, UP) 2.3.1-92.5.0-32.5.0-32.6.1-1~exp2.9.0molecular-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-34.3.0molecular-dynamics
pdb-tools (PTS, VCS, UP) 2.5.0-22.5.1-22.5.1-22.5.1crystallography
phonopy (PTS, VCS, UP) 2.17.1-12.23.1-12.23.1-12.30.0crystallography
prody (PTS, VCS, UP) 2.3.1+dfsg-32.4.1+dfsg-22.5.0rc0molecular-dynamics
promod3 (PTS, VCS, UP) 3.2.1+ds-63.4.0+ds-1molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-51.3.2+dfsg-51.9.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0molecular-abinitio development
pycifrw (PTS, VCS, UP) 4.4.4-34.4.6-34.4.6-34.4.6input-generation-output-processing
pymol (PTS, VCS, UP) 2.5.0+dfsg-13.0.0+dfsg-13.0.0+dfsg-13.0.0molecular-modelling
python-ase (PTS, VCS, UP) 3.22.1-33.23.0-13.23.0-13.23.0input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.14.0+dfsg-22024.4.0-22024.4.0-22023.6.0-3~bpo12+12024.9.0crystallography
python-pymzml (PTS, VCS, UP) 2.5.2+repack1-12.5.10+repack1-12.5.10+repack1-12.5.10analytical-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) 1.22-11.22.3-11.22.3-11.22.3analytical-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) 1.9.0-11.9.3-11.9.3-11.9.3analytical-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) 202209.3-1202309.3-7202409.2cheminformatics
scalapack (PTS, VCS, UP) 2.2.1-22.2.1-52.2.1-52.2.1development
shelxle (PTS, VCS, UP) 1.0.1472-11.0.1552-11.0.1552-11.0.1695visualisation crystallography
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-40.2.0+dfsg1-60.2.0+dfsg1-60.2.0cheminformatics
spglib (PTS, VCS, UP) 2.0.2-12.5.0-12.5.0-12.5.0development
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+dfsg1-11.7.8analytical-biochemistry
travis (PTS, VCS, UP) 220729-1220729-1220729-1220729input-generation-output-processing
v-sim (PTS, VCS, UP) 3.7.2-93.7.2-9visualisation
votca (PTS, VCS, UP) 2022.1-12024.1-12024.1-12024.2molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-73.1.0+ds-103.1.0periodic-abinitio
xbs (PTS, VCS, UP) 0-110-120-12visualisation
xcrysden (PTS, VCS, UP) 1.6.2-41.6.2-41.6.2-41.6.3~rc2crystallography input-generation-output-processing visualisation
xdrawchem (PTS, VCS, UP) 1.11.0-41.11.1-11.11.1-1view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16visualisation
xtb (PTS, VCS, UP) 6.5.1-36.7.0-16.7.0-16.7.1semiempirical