 David Sehnal
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64ba197dd3
working on mol-task
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7 rokov pred |
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David Sehnal
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abcb1f5481
working on mol-task
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7 rokov pred |
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David Sehnal
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3d29b7e4e8
working on mol-task
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7 rokov pred |
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David Sehnal
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4428feda3d
updated packages
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7 rokov pred |
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Zepei Xu
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45a947d800
typo fix
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7 rokov pred |
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Zepei Xu
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f2b655ea7c
Used TokenColumns. Read first line to determine which column is missing. Read each value at a time and add start and end indices to corresponding tokens. There is an error about async wait of handleAtoms and handlebonds Funcitons because they don't have async functions inside them and maybe they don't return Promises anymore. Used to use readLinesAsync which is a async function. But now use skipWhitespace and eatValue, which don't have async versions.
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7 rokov pred |
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Zepei Xu
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1bbb2bf057
Merge branch 'master' into mol2-2
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7 rokov pred |
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Zepei Xu
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18ed7862de
move files to right place
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7 rokov pred |
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David Sehnal
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1d07b6a0dd
renamed mol-comp to mol-task
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7 rokov pred |
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David Sehnal
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6d3565dc71
mol-comp prototype tweak
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7 rokov pred |
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David Sehnal
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562cb9acc1
comp proof tweak
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7 rokov pred |
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David Sehnal
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d6e11bb290
comp proof of concept
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7 rokov pred |
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David Sehnal
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552205063b
readme + examples folder
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7 rokov pred |
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David Sehnal
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b9404bbc8b
Started mol-comp
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7 rokov pred |
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Zepei Xu
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30f72c4d85
Merge branch 'master' into mol2-2
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7 rokov pred |
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David Sehnal
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0c7c82e043
Scheduler tweaks
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7 rokov pred |
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David Sehnal
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8416a827b0
Predicate fix
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7 rokov pred |
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David Sehnal
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d24dab3b24
tweaking data model
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7 rokov pred |
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David Sehnal
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423f9c4753
Refactored Selection
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7 rokov pred |
|
David Sehnal
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f9154ab425
more chunker updates
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7 rokov pred |
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David Sehnal
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9890d4807a
more accurate time management for Computation.Chunker
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7 rokov pred |
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David Sehnal
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9f0a9db207
Better template atomset builder
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7 rokov pred |
|
David Sehnal
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9a3b83d136
More atom set refactoring
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7 rokov pred |
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David Sehnal
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a7b35130ec
more atomset refactoring
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7 rokov pred |
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David Sehnal
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f576e797cd
reimplementing AtomSet
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7 rokov pred |
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David Sehnal
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277c83fbe4
Structure units is now just an array
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7 rokov pred |
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David Sehnal
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db1b12d5be
removed id field from the unit interface
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7 rokov pred |
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David Sehnal
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ca5dc25917
OrderedSet intersection tweak
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7 rokov pred |
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David Sehnal
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b4aab810ad
Working on structure data model
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7 rokov pred |
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David Sehnal
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0328282d52
Started "AtomUnits"
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7 rokov pred |
