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NVIDIA
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cheminformatics
Facilitates searching, screening, and organizing large chemical databases
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Bump dash-html-components from 1.1.2 to 2.0.0 in /cuchem
#172
dependabot[bot]
opened
7 months ago
1
Bump dash-core-components from 1.15.0 to 2.0.0 in /cuchem
#171
dependabot[bot]
opened
7 months ago
1
Bump dash from 1.19.0 to 2.15.0 in /cuchem
#170
dependabot[bot]
opened
8 months ago
1
Bump tensorflow-gpu from 1.15.5 to 2.12.0 in /cuchem
#169
dependabot[bot]
opened
1 year ago
1
Bump tensorflow-gpu from 1.15.5 to 2.9.3 in /cuchem
#168
dependabot[bot]
closed
1 year ago
2
Bump protobuf from 3.15.0 to 3.18.3 in /cuchem
#167
dependabot[bot]
opened
2 years ago
1
Minor plotting improvments
#166
mlgill
closed
2 years ago
0
Fixed bugs in memcache.py and embedding.py, updated readme
#165
gagank1
opened
2 years ago
0
Stale GPG Key in CUCHEM base docker file
#164
lilleswing
opened
2 years ago
1
GPG Key Rotation Breaking First Build
#163
lilleswing
opened
2 years ago
0
Simplify and clean up code, add plotting notebook
#162
mlgill
closed
2 years ago
0
Molecular embedding
#161
ethancohen123
opened
2 years ago
0
Fix regressions in metric plotting
#160
mlgill
closed
2 years ago
0
smiletoembedding get the last embedding
#159
leoin841023
opened
2 years ago
0
Bump waitress from 2.1.1 to 2.1.2 in /cuchem
#158
dependabot[bot]
closed
2 years ago
1
Dreidenbach/dev
#157
nvdreidenbach
closed
2 years ago
0
Bump tensorflow-gpu from 1.15.5 to 2.7.2 in /cuchem
#156
dependabot[bot]
closed
2 years ago
3
Bump tensorflow-gpu from 1.15.5 to 2.6.4 in /cuchem
#155
dependabot[bot]
closed
2 years ago
2
test_megamolbart.py not working
#154
mircare
opened
2 years ago
2
Busy indicator and eliminate duplicate records...
#153
rilango
closed
2 years ago
0
Failed to run cuchemUI container - "ImportError: cannot import name 'get_current_traceback' from 'werkzeug.debug.tbtools' "
#152
ksasagit
opened
2 years ago
1
Rilango/cddd download issue
#151
rilango
closed
2 years ago
0
Fix for cache creation issues...
#150
rilango
closed
2 years ago
0
Some change to google drive is preventing CDDD model download
#149
rilango
closed
2 years ago
0
Add workdir to dockerfile.
#148
rilango
closed
2 years ago
0
Unable to use megamolbart model
#147
muammar
closed
2 years ago
8
./launch.sh config assumes /bin/bash
#146
muammar
opened
2 years ago
1
Improve application startup time...
#145
rilango
closed
2 years ago
1
Refactor and bug fixes...
#144
rilango
closed
2 years ago
0
Remove code for starting the application in service role.
#143
rilango
closed
2 years ago
1
Bugfix: Molecule generation failure...
#142
rilango
closed
2 years ago
0
Bump waitress from 1.4.3 to 2.1.1 in /cuchem
#141
dependabot[bot]
closed
2 years ago
1
Generating Novel Compounds: returned non-zero exit status 9 Error.
#140
ryusukemomota
opened
2 years ago
1
Intitial changes to separate CDDD model from the main application
#139
rilango
closed
2 years ago
0
Mpvenkatesh/az
#138
mpvenkatesh
opened
2 years ago
1
Changes to allow passing padding size for computing embedding from
#137
rilango
closed
2 years ago
0
Bump protobuf from 3.14.0 to 3.15.0 in /cuchem
#136
dependabot[bot]
closed
2 years ago
1
Bump tensorflow-gpu from 1.15.5 to 2.5.3 in /cuchem
#135
dependabot[bot]
closed
2 years ago
2
Bugfix: EmbeddingToSmiles was failing during decoding
#134
rilango
closed
2 years ago
0
Bugfixes: Incorrect paths and EmbeddingToSmile coversion....
#133
rilango
closed
2 years ago
1
Mpvenkatesh/az
#132
mpvenkatesh
closed
2 years ago
1
Minor change for easier development.
#131
rilango
closed
2 years ago
0
Fix for moganfingerprint issue.
#130
rilango
closed
2 years ago
1
Improvements to aggregated metric plots
#129
mlgill
closed
2 years ago
3
Code cleanup and add pickle5 in preparation of upgrade RAPIDS
#128
rilango
closed
2 years ago
0
Bug fix for CDDD issue
#127
mlgill
closed
2 years ago
0
Minor bug fixes to plots
#126
mlgill
closed
2 years ago
0
Sort ML model columns correctly
#125
mlgill
closed
2 years ago
0
Update README for setting up benchmark module
#124
rilango
closed
2 years ago
0
Bugfix: Run with multiple radii were ignoring all but first radius
#123
rilango
closed
2 years ago
0
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