 Alexander Rose
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d1bbe015ad
added some mol-io helper methods
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7 years ago |
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Alexander Rose
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2446334b41
export schema database as type instead of interface
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7 years ago |
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Alexander Rose
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ac614ebd32
updated mmcif: reordered, added chem_comp, entry, struct, struct_keywords
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7 years ago |
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Alexander Rose
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ab404049a4
doc
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7 years ago |
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Alexander Rose
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e9b57bb89b
improved schema generation from mmcif dic
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7 years ago |
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Alexander Rose
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75e1dac484
mmcif, ccd & bird schema updates
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7 years ago |
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Alexander Rose
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151ef5d806
vscode
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7 years ago |
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Alexander Rose
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00d1e1c555
improving & testing list column type
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7 years ago |
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Alexander Rose
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3add0d0636
add tensor handling to cif encoder
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7 years ago |
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Alexander Rose
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13e63cedf4
added 'list' column type
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7 years ago |
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Alexander Rose
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c73f68023f
added CCD schema
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7 years ago |
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Alexander Rose
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4c74909619
add gro format import support to mol-model
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7 years ago |
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Alexander Rose
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9184dfafbc
typo
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7 years ago |
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Alexander Rose
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c9eba240bb
use const
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7 years ago |
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Alexander Rose
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75cc576932
added on-demand file loading to structure perf-test
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7 years ago |
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Alexander Rose
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9f2cb62cb6
removed unused file
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7 years ago |
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Alexander Rose
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a8f665916d
force int type for some mmcif fields
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7 years ago |
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Alexander Rose
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c36c3f0d13
added code generated mmcif schema based on popular fields
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7 years ago |
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Alexander Rose
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6629c0b512
improved schema generation and moved to apps folder
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7 years ago |
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Alexander Rose
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66f6c54c43
updated readme and packages
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7 years ago |
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Alexander Rose
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b64faed5d5
fixed mol2 parser
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7 years ago |
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David Sehnal
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b2c1012c98
Fixed Table.columnToArray
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7 years ago |
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Alexander Rose
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923404c20e
wip, fixing mol2 parser (multi model still broken)
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7 years ago |
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Alexander Rose
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86b1643af0
fixed ts typecheck
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7 years ago |
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Alexander Rose
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0599057716
tweaked moduleNameMapper
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7 years ago |
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Alexander Rose
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477f9b6572
try moduleNameMapper for jest
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7 years ago |
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Alexander Rose
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81f6ec7b79
tweaked paths in package.json
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7 years ago |
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Alexander Rose
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078c9cf2e5
updated packages
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7 years ago |
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Alexander Rose
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6eef49d85f
added travis ci config
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7 years ago |
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Alexander Rose
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0b95406cc9
wip, fixing mol2 parser and tests
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7 years ago |
