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exa-analytics
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exatomic
A unified platform for theoretical and computational chemists
https://exa-analytics.github.io/exatomic
Apache License 2.0
19
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11
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Bug with pandas pivot fixed
#285
azaichen
closed
1 week ago
0
Molcas outputs reading bug fixed
#284
azaichen
closed
3 months ago
0
deprecated DataFrame.ix in molecule.py (line 68)
#283
adamphil
opened
5 months ago
2
chore(deps-dev): bump @babel/traverse from 7.10.4 to 7.23.2 in /js
#282
dependabot[bot]
opened
9 months ago
0
chore(deps-dev): bump word-wrap from 1.2.3 to 1.2.4 in /js
#281
dependabot[bot]
opened
1 year ago
0
Fixing build issues with version lock
#280
herbertludowieg
closed
1 year ago
0
Failing build
#279
herbertludowieg
opened
1 year ago
1
Find values in Gaussian FChk and ADF TAPE21
#278
herbertludowieg
opened
1 year ago
0
Failing BasisSet tests
#277
herbertludowieg
closed
1 year ago
1
Failing widgets tests
#276
herbertludowieg
opened
1 year ago
0
Some changes for codacy
#275
herbertludowieg
closed
1 year ago
1
chore(deps): bump json5 from 1.0.1 to 1.0.2 in /js
#274
dependabot[bot]
closed
1 year ago
0
Remove VA module completely
#273
herbertludowieg
closed
1 year ago
0
chore(deps): bump json5, tsconfig-paths, webpack and webpack-cli in /js
#272
dependabot[bot]
closed
1 year ago
1
chore(deps): bump decode-uri-component from 0.2.0 to 0.2.2 in /js
#271
dependabot[bot]
closed
1 year ago
0
chore(deps): bump loader-utils from 1.4.0 to 1.4.2 in /js
#270
dependabot[bot]
closed
1 year ago
1
Increase output parsing
#269
herbertludowieg
closed
1 year ago
1
chore(deps): bump minimatch from 3.0.4 to 3.1.2 in /js
#268
dependabot[bot]
closed
1 year ago
0
chore(deps): bump url-parse, @jupyter-widgets/base and @jupyter-widgets/controls in /js
#267
dependabot[bot]
closed
1 year ago
0
chore(deps): bump glob-parent from 5.1.1 to 5.1.2 in /js
#266
dependabot[bot]
closed
1 year ago
0
General parser adf
#265
herbertludowieg
closed
1 year ago
2
Set up code security scanning
#264
avmarchenko
opened
1 year ago
0
chore(deps): bump moment from 2.29.2 to 2.29.4 in /js
#263
dependabot[bot]
closed
1 year ago
0
General parser adf
#262
herbertludowieg
closed
1 year ago
1
ADF parsers for new version
#261
herbertludowieg
closed
1 year ago
0
chore(deps): bump terser from 4.8.0 to 4.8.1 in /js
#260
dependabot[bot]
closed
1 year ago
0
chore(deps): bump jquery-ui from 1.13.0 to 1.13.2 in /js
#259
dependabot[bot]
closed
1 year ago
0
Add unit conversions
#258
herbertludowieg
closed
2 years ago
3
chore(deps): bump moment from 2.27.0 to 2.29.2 in /js
#257
dependabot[bot]
closed
2 years ago
0
chore(deps): bump ansi-regex from 4.1.0 to 4.1.1 in /js
#256
dependabot[bot]
closed
2 years ago
0
chore(deps): bump minimist from 1.2.5 to 1.2.6 in /js
#255
dependabot[bot]
closed
2 years ago
0
chore(deps): bump node-fetch from 2.6.1 to 2.6.7 in /js
#254
dependabot[bot]
closed
2 years ago
0
chore(deps): bump three from 0.125.0 to 0.137.0 in /js
#253
dependabot[bot]
closed
2 years ago
0
Deprecation design
#252
avmarchenko
opened
2 years ago
0
feat: clean run
#251
tjduigna
closed
2 years ago
0
fix: var name
#250
tjduigna
closed
2 years ago
0
fix: static exa assets
#249
tjduigna
closed
2 years ago
0
fix: conda pls
#248
tjduigna
closed
2 years ago
0
fix: install the pkg
#247
tjduigna
closed
2 years ago
0
fix: conda pls
#246
tjduigna
closed
2 years ago
0
feat: remove cicd script
#245
tjduigna
closed
2 years ago
1
fix: all dependencies for conda publish
#244
tjduigna
closed
2 years ago
0
fix: conda pls
#243
tjduigna
closed
2 years ago
0
fix: store artifact between release and conda
#242
tjduigna
closed
2 years ago
0
fix: publish to conda
#241
tjduigna
closed
2 years ago
0
fix: pypi config
#240
tjduigna
closed
2 years ago
0
fix: pandoc and shell
#239
tjduigna
closed
2 years ago
0
Address the dependabot alerts
#238
avmarchenko
opened
2 years ago
0
Add master workflow
#237
tjduigna
closed
2 years ago
0
Issue 230 imports
#236
avmarchenko
closed
2 years ago
1
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