 David Sehnal
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4f77ec1c8a
Wrap query in a task
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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678701c2b7
chunked-array update
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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0e16108fd6
Updated tensors in mol-math
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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606dde2366
Renamed Atom* to Element*
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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7d4b9d1537
Coarse grained units
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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90bcc2c880
ValueCell updates
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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93796e56fa
ValueCell updates
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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63d1a34219
Added id field to ValueBox
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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dbb9d5a35e
Added ValueBox/Cell to mol-util
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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d4ed6cc7c6
Merge branch 'master' of https://github.com/mol-star/mol-star-proto
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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6fad112cd3
Removed computation from mol-util, use mol-task instead
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
|
3ff823a63e
Mol2 parser now uses mol-task
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
|
28c575bb5f
Chunked task tweaks
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
|
a8070e4136
CIF parser now uses mol-task
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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088350c0ae
Updated packages
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
|
0cffd32508
Chunked task
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
|
7f3b2316ee
multistep task
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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3fff4c0bf5
Added Mol-script
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
6e6a0d96f7
mark package-lock as binary
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%!s(int64=7) %!d(string=hai) anos |
|
David Sehnal
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184181c827
CIF parser fix
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%!s(int64=7) %!d(string=hai) anos |
|
arose
|
3c5f5d3a6b
wip, started mol-gl
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%!s(int64=7) %!d(string=hai) anos |
|
arose
|
501f5a2280
example of how to loop over bonds and create atom label
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
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1e92c78973
wip, adding bond and sec struct related code from molql
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
f1a4053cb4
wip, combine-mmcif script
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
75c686891d
added more useful mmcif fields
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
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fe85307716
added more helper methods
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
a68a188600
added bird related fields to mmcif schema
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
c6bbc0a8cb
use indexable with length prop for Column.copyToArray
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%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
e706e8a9b6
reverted "export schema database as type instead of interface"
|
%!s(int64=7) %!d(string=hai) anos |
|
Alexander Rose
|
ecfc378174
wip, combine-mmcif script that adds ccd, pvcd, bird data to an entry
|
%!s(int64=7) %!d(string=hai) anos |
