jla-gardner/load-atoms issues and pull requests

#62 - stop rotating to default

Issue - State: open - Opened by vladislavivanistsev 7 months ago

#61 - `view` improvements

Pull Request - State: closed - Opened by jla-gardner 11 months ago - 2 comments

#60 - Single atoms are not shown

Issue - State: closed - Opened by vladislavivanistsev 11 months ago - 1 comment

#59 - Rotation

Issue - State: closed - Opened by vladislavivanistsev 11 months ago - 1 comment

#58 - fix coverage

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#57 - Minor doc improvements

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#56 - Improve `processing` pipeline

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#55 - Property table

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#54 - Progress bars for all `processing` steps

Issue - State: closed - Opened by jla-gardner 12 months ago

#53 - Add `Properties` section to each datasets docs

Issue - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#52 - Add `keep_ratio` functionality to `AtomsDataset` splitting

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 2 comments

#51 - Colour code options for visualisation

Issue - State: open - Opened by zakmachachi 12 months ago

#50 - Add `processing` API to allow for remote downloads

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#49 - Improve download display

Issue - State: closed - Opened by jla-gardner 12 months ago

#48 - Progress bars for `read` and `write`

Issue - State: closed - Opened by jla-gardner 12 months ago

#47 - Improve load speed of datasets

Issue - State: closed - Opened by jla-gardner 12 months ago

#46 - add year

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#45 - Add year to Schema

Issue - State: closed - Opened by jla-gardner 12 months ago

#44 - Dataset classification

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#43 - Docs revamp

Pull Request - State: closed - Opened by jla-gardner 12 months ago - 1 comment

#42 - Refactor structure

Pull Request - State: closed - Opened by jla-gardner about 1 year ago

#41 - LazyMapping for info and arrays

Pull Request - State: closed - Opened by jla-gardner about 1 year ago - 1 comment

#40 - Move storage locations?

Issue - State: closed - Opened by jla-gardner about 1 year ago

#39 - Update docs for loading modules

Issue - State: closed - Opened by zakmachachi over 1 year ago

#38 - split by config

Pull Request - State: closed - Opened by zakmachachi over 1 year ago

#37 - Dataset wishlist

Issue - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#36 - improve documentation and Dataset class

Issue - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#35 - Developer experience improvements

Pull Request - State: closed - Opened by jla-gardner over 1 year ago - 1 comment
Labels: enhancement

#34 - Improved developer experience

Issue - State: closed - Opened by jla-gardner over 1 year ago

#33 - Re-structuring

Pull Request - State: closed - Opened by jla-gardner over 1 year ago - 2 comments
Labels: enhancement

#32 - Visualisation not working

Issue - State: closed - Opened by zakmachachi over 1 year ago - 1 comment

#31 - quality of experience

Issue - State: closed - Opened by jla-gardner over 1 year ago

#30 - Add MD22 etc. datasets

Issue - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#29 - Link to GitHub repository from Documentation

Issue - State: closed - Opened by dft-dutoit over 1 year ago - 1 comment

#28 - Improve Load from Disk performance.

Issue - State: closed - Opened by dft-dutoit over 1 year ago - 3 comments

#27 - download queue

Pull Request - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#26 - improve indexing

Pull Request - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#25 - Indexing bug

Issue - State: closed - Opened by ZoeFaureBeaulieu over 1 year ago - 2 comments
Labels: bug

#24 - remote datasets

Pull Request - State: closed - Opened by jla-gardner over 1 year ago - 1 comment

#23 - improve docs

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#22 - Add examples to docs

Issue - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#21 - Add remote datasets

Issue - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#20 - Add datasets without bumping version

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#19 - move to using pydantic

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#18 - improve test coverage

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#17 - Add Code Coverage

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#16 - Move datasets

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago

#15 - Making Tests Pass

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment

#14 - Add GH Pages

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#13 - Add GH Pages

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago

#12 - Checksum validation

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago

#11 - if file fails to download, remove it from the cache

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#10 - Add (checksum) verification of datasets

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#9 - initial validation work

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago

#8 - strict verification of database description files

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#7 - adding visualisations to docs

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago - 2 comments

#6 - Add structure visualisation to docs.

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#5 - Nicer `summarise_dataset` output

Issue - State: closed - Opened by jla-gardner almost 2 years ago

#4 - Add descriptions to fields in database files

Issue - State: closed - Opened by jla-gardner almost 2 years ago - 1 comment
Labels: enhancement

#3 - making docs

Pull Request - State: closed - Opened by jla-gardner almost 2 years ago

#2 - Adding print info for

Pull Request - State: closed - Opened by ZoeFaureBeaulieu almost 2 years ago

#1 - Update DEVELOPMENT.md

Pull Request - State: closed - Opened by ZoeFaureBeaulieu almost 2 years ago

GitHub / jla-gardner/load-atoms issues and pull requests