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ReactionMechanismGenerator
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RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
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Add more solvation search tools with more advanced options
#226
yunsiechung
closed
3 years ago
2
Fix to various solvation display issues
#225
jonwzheng
closed
3 years ago
6
Fix to slow individual kinetics family entry pages
#224
jonwzheng
closed
3 years ago
0
Add hyperlinks to group additivity thermo estimates
#223
jonwzheng
closed
3 years ago
5
Compatibility with OpenBabel3
#222
jonwzheng
closed
3 years ago
0
BugFix: handling unit of '1/XXX'
#221
xiaoruiDong
closed
3 years ago
0
Unable to Determine Thermo Parameters for OON=N[Pt]
#220
Tingchenlee
opened
3 years ago
2
Kinetic Search Error of [Pt]ON([Pt])[O] (Surface_Abstraction_vdW family)
#219
Tingchenlee
opened
3 years ago
2
Duplicate Surface Reactions with the Same Kinetic in Kinetic Search(Surface_Abstraction_vdW family)
#218
Tingchenlee
closed
5 months ago
1
"There are no kinetics for this entry." message could be more friendly/helpful.
#217
rwest
opened
3 years ago
0
Kinetics search for surface reactions
#216
ChrisBNEU
opened
3 years ago
5
Reactions in Surface_Bidentate_Dissociation family show KeyError: '1'
#215
Tingchenlee
closed
3 years ago
2
Feature request: hyperlinks to thermo group contribution entries.
#214
rwest
closed
3 years ago
1
Show reverse rates whenever available in kinetics data page
#213
xiaoruiDong
closed
3 years ago
0
Incorrect behavior of kinetic entries
#212
xiaoruiDong
opened
3 years ago
1
Add 2021 workshop to resources
#211
xiaoruiDong
closed
3 years ago
0
Molecule Search failing to populate adjacency list
#210
mefuller
closed
3 years ago
3
Load metal database
#209
xiaoruiDong
closed
3 years ago
1
AttributeError: 'ThermoDatabase' object has no attribute 'binding_energies'
#208
rwest
closed
3 years ago
1
Add loading image and recommendations in kinetic search
#207
xiaoruiDong
closed
3 years ago
2
Update README.md
#206
MaheshAI
closed
3 years ago
1
Update and rename README.md to updated Docs
#205
PriyAJaiswal23
closed
3 years ago
0
Updated docs
#204
sudhir-12
closed
3 years ago
0
Update README.md
#203
pradnyaghuge
closed
3 years ago
0
Update LICENSE.txt
#202
James-HACK
closed
3 years ago
0
Improved Docs
#201
vishalvishw10
closed
3 years ago
0
Data plotting issue in Thermo and kinetics entries
#200
xiaoruiDong
opened
4 years ago
0
Update the reference info for T-dep solvation tool
#199
yunsiechung
closed
4 years ago
1
Kinetics Estimator unable to recognize NOx disproportionation (missing class?)
#198
mefuller
closed
3 years ago
5
BugFix: return the correct direction reaction when searching kinetics
#197
xiaoruiDong
closed
4 years ago
0
Overwrite DEFAULT_FROM_EMAIL in the settings
#196
xiaoruiDong
closed
4 years ago
0
Forget Password Function + improve error handling in RMG tools
#195
xiaoruiDong
closed
4 years ago
0
Further improve error handling of adjacency list generation
#194
xiaoruiDong
closed
4 years ago
0
BugFix: return links to rxns with correct direction in kinetic search
#193
xiaoruiDong
closed
4 years ago
0
Improve error handling when getting invalid identifiers
#192
xiaoruiDong
closed
4 years ago
0
Update the molecule entry page
#191
xiaoruiDong
closed
4 years ago
0
Reset/find user account information
#190
mefuller
closed
4 years ago
2
Post-Installation Tests Fail on HPC Cluster
#189
mefuller
closed
4 years ago
1
Added a temperature dependent calculation option on Solvation Search
#188
yunsiechung
closed
4 years ago
4
Improve error handling for MoleculeEntry page
#187
mliu49
closed
4 years ago
1
Add Terms of Use
#186
mliu49
opened
4 years ago
0
Browsing database painfully slow on first load
#185
rwest
opened
4 years ago
3
Reaction library "Edit Entry" gives module 'rmgpy.data.kinetics' has no attribute 'save_entry'
#184
rwest
opened
4 years ago
1
Display Rate Uncertainty Information When Available
#183
mjohnson541
opened
4 years ago
1
RMG website python 3 support
#182
xiaoruiDong
closed
4 years ago
1
UnboundLocalError in kinetics search
#181
alongd
closed
4 years ago
1
Molecule search doesn't find adjacency list with species name
#179
ajocher
closed
4 years ago
2
Feature: Access to Multiple Versions of the RMG Documentation
#178
amarkpayne
opened
4 years ago
6
Error in "Convert Chemkin File"
#177
jimchu10
closed
4 years ago
4
RMG website test failure
#176
xiaoruiDong
closed
4 years ago
1
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