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OpenChemistry
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avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
https://two.avogadro.cc/
BSD 3-Clause "New" or "Revised" License
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Support more molecular properties
#1822
ghutchis
closed
44 minutes ago
1
Use release certificate signing on Windows
#1821
ghutchis
closed
3 hours ago
1
Translations update from Hosted Weblate
#1820
weblate
opened
4 hours ago
1
Translations update from Hosted Weblate
#1819
weblate
closed
5 hours ago
1
Translations update from Hosted Weblate
#1818
weblate
closed
1 day ago
3
Upload the signed installer as Win64-signed.exe
#1817
ghutchis
closed
1 day ago
1
Check the build directory for the final signed artifact
#1816
ghutchis
closed
1 day ago
1
Translations update from Hosted Weblate
#1815
weblate
closed
1 day ago
3
More signpath
#1814
ghutchis
closed
2 days ago
1
Add a separate Windows build for SignPath signing
#1813
ghutchis
closed
2 days ago
3
Test Windows signing with SignPath
#1812
ghutchis
closed
2 days ago
3
Try Windows test signing with SignPath
#1811
ghutchis
closed
3 days ago
2
Edit molecule name, charge, and spin in properties
#1810
ghutchis
closed
4 days ago
9
For now, disable dipole moment rendering until crash is fixed
#1809
ghutchis
closed
4 days ago
1
Read ORCA coordinate sets
#1808
ghutchis
closed
3 days ago
3
Add Shortcut Keys to navigate/modify molecules (Issue #1794)
#1807
Milziade
closed
1 hour ago
6
Selecting atoms with Dipole Moment turned on causes crash
#1806
matterhorn103
opened
4 days ago
2
Add a "Reset to Defaults" button to the View Configuration for each display type
#1805
matterhorn103
opened
4 days ago
3
Optionally use msgpack for energy / gradient calculations
#1804
ghutchis
opened
5 days ago
1
Add HOMO and LUMO energies to properties
#1803
ghutchis
closed
4 days ago
3
Automated translation updates
#1802
github-actions[bot]
closed
1 day ago
1
Calculate and render dipole moments
#1801
ghutchis
closed
5 days ago
7
Translations update from Hosted Weblate
#1800
weblate
closed
3 days ago
8
Parse NMR spectra from Orca
#1799
ghutchis
closed
1 week ago
2
Energy calculator scripts should have an option to use `msgpack`
#1798
ghutchis
opened
1 week ago
0
Parse Orca electronic spectra
#1797
ghutchis
closed
1 week ago
3
Use Flatpak of flatpak-builder so that we use latest build
#1796
matterhorn103
closed
1 week ago
1
Translations update from Hosted Weblate
#1795
weblate
closed
1 week ago
1
Add Shortcut Keys to navigate/modify molecules
#1794
Milziade
closed
1 hour ago
7
Fix a potential crash in the new translucent VdW & licorice code
#1793
ghutchis
closed
1 week ago
2
Translations update from Hosted Weblate
#1792
weblate
closed
1 week ago
1
Initial work to fix potential crash on Windows
#1791
ghutchis
closed
1 week ago
3
WIP: Cache Open Babel formats, force fields and charges
#1790
ghutchis
opened
1 week ago
2
Add opacity to the licorice rendering
#1789
ghutchis
closed
1 week ago
3
Translations update from Hosted Weblate
#1788
weblate
closed
1 week ago
1
Automated translation updates
#1787
github-actions[bot]
closed
1 week ago
1
Fix residue not initializing id in default constructor
#1786
ghutchis
closed
1 week ago
2
Handle upper-case [ATOMS] line in Molden files from Cfour
#1785
ghutchis
closed
1 week ago
3
Translations update from Hosted Weblate
#1784
weblate
closed
1 week ago
1
Allow semi-transparent ball-and-sticks and vdw rendering
#1783
ghutchis
closed
1 week ago
6
Translations update from Hosted Weblate
#1782
weblate
closed
1 week ago
2
Translations update from Hosted Weblate
#1781
weblate
closed
1 week ago
2
Add std::chrono timing for mesh generation benchmark
#1780
ghutchis
closed
1 week ago
4
ENH/BUG: Code Clean Up, Optimization, Documentation
#1779
TactfulDeity
closed
1 week ago
24
Translations update from Hosted Weblate
#1778
weblate
closed
2 weeks ago
2
Update the template tool to place ligands or functional groups
#1777
ghutchis
closed
2 weeks ago
1
BUG: Found an assignment bug in cmlformat.cpp
#1776
TactfulDeity
closed
1 week ago
4
Switch AppImage build to use the new linuxdeploy tool
#1775
ghutchis
closed
2 weeks ago
4
Fix manipulate dialog - rotate around origin, molecule center, selection center
#1774
ghutchis
closed
2 weeks ago
4
Automated translation updates
#1773
github-actions[bot]
closed
2 weeks ago
1
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