Changelog
Changelog¶
All notable changes to this project will be documented in this file. Dates are displayed in UTC.
Generated by auto-changelog
.
3.14.0¶
21 March 2025
- feat: ability to view docking results in 3D
#166
3.13.0¶
20 March 2025
- feat: overhauled docs
#164
- Bugfixes mar 18 2
#163
- core: added comments about PyPI actions
#162
- fix: another small bugfix
#161
3.12.1¶
18 March 2025
- fix: small bugfixes
#160
3.12¶
18 March 2025
- Small fixes and improvements
#159
- Fixes 17 mar
#158
- fix: mistakes in docs
#157
- feat: simpler install
#156
3.11.1¶
17 March 2025
- feat: switched all docs to be python-first
#155
3.11.0¶
17 March 2025
- New Complex class, better support for ABFE/RBFE/Docking
#154
3.10.0¶
11 March 2025
- RBFE + docking support
#153
3.9.0¶
10 March 2025
- feat: improvements to SDF tools
#152
3.8.1¶
5 March 2025
- Abfe improvements
#151
3.8.0¶
5 March 2025
- Support for new FEP class that can do both ABFE and RBFE
#150
3.7.0¶
3 March 2025
3.6.0¶
3 February 2025
- chore: bump platform SDK to 2.0.0
#147
3.5.0¶
31 January 2025
- FEP: tooling to run ABFE
#146
- feat: update draco docs
#145
- feat: interrupting wait_for_jobs leads to a clean exit
#144
3.4.0¶
23 January 2025
- feat: high level toolkit for running ligand and docking
#143
- fix: reverting change in auth_domain
#142
3.3.0¶
15 January 2025
3.2.0¶
8 January 2025
3.1.0¶
2 January 2025
- feat: updated changelog
#136
- feat: more tool wrappers, more docs, assorted bugfixes
#135
- feat: simpler tool execution code
#134
- Fix conda docs
#132
- feat: tooling to run autodock vina on deep origin
#131
- Support for filtering rows in a database
#130
3.0.5¶
9 December 2024
- fix: works with new auth_domain
#129
3.0.4¶
4 December 2024
3.0.3¶
3 December 2024
- fix: fixed a bug where expressions weren't being handled correctly in…
#126
3.0.2¶
2 December 2024
- fix: fix for dangerous indexing
#125
3.0.1¶
2 December 2024
- fix: bumped to v29 of SDK for httpx workaround
#124
- fix: removed ensure_client decorator
#122
- fix: removed download_file
#121
- fix: only patch the action
#120
- fix: better handling of text responses
#118
3.0.0¶
22 November 2024
- fix: start pr
#117
- Add rows
#115
- Support for platform API
#116
- Refactor of test stack
#114
- Live tests 2
#113
- fix: parallelized tests
#112
- Live tests
#111
2.5.3¶
14 November 2024
- fix: fixed more type mismatch issues
#110
2.5.2¶
14 November 2024
2.5.1¶
29 October 2024
- fix: bugfixes and debug hooks
#106
2.5.0¶
29 October 2024
- feat: moving to hover callback
#105
- refactor: moved JS callback into its own file
#104
- fix: insertion of series data into dataframe
#102
- fix: attempt to fix custom domain reset
#103
- fix: fixed site url
#101
- feat: ability to make plots from Deep Origin dataframes
#100
2.4.1¶
25 October 2024
- fix: fixed a bug in adding string columns
#99
2.4.0¶
24 October 2024
- feat: added changelog for new version
#98
- feat: slicing a dataframe using
loc
preserves attributes#97
- fix: better typing for dataframes
#96
- feat: ability to delete terminated workstations
#94
- fix: suppress message about new version on lambda
#93
- feat: ability to decode tokens
#92
- fix: added docstrings for all modules
#91
- fix: fixed a bug where expired tokens were not being refreshed
#90
- feat: added ability to compute hash on file upload
#89
2.3.0¶
7 October 2024
- feat: added ability to download files in parallel
#88
2.2.1¶
3 October 2024
- fix: we don't send the hash
#87
2.2.0¶
3 October 2024
- refactor: dropped support for graphql secrets and variables
#86
- refactor: split up utils into different modules
#85
- feat: support for passing sha256 checksum to upload_file
#84
- fix: more bugfixes & improvements
#83
- fix: added list_files method back, matching docs
#81
2.1.4¶
19 September 2024
- fix: dataframe printing errors shouldn't cause an error
#79
2.1.3¶
18 September 2024
- fix: check
file_ids
length prior to listing files#78
2.1.2¶
5 September 2024
- fix: version number printed correctly
#77
- fix: better testing for config
#76
- feat: much faster file name resolution using ListFiles
#75
2.1.1¶
29 August 2024
- fix: number of small bugfixes with dataframes
#74
2.1.0¶
22 August 2024
2.0.5¶
13 August 2024
- feat: updated to new version of deleting database columns
#70
2.0.4¶
9 August 2024
- feat(docs): minor edits to docs
#69
- feat: ability to create/delete objects
#68
- feat: clarified and standardized error messages
#67
2.0.3¶
7 August 2024
- Minor improvements and bug fixes
#66
- Updates to documentation
#65
- feat: changed 'document' terminology to 'notebook'
#64
- fix: minor improvements
#63
- feat: clarified the help strings of the data hub in the CLI
#62
- fix: removed a file that shouldn't be included
#60
- ci: changed codeowners from documentation writers to platform documentation writers
#61
2.0.2¶
31 July 2024
- fix: many small fixes to python client
#59
- fix: fixed a bug in get_dataframe where HID prefix had a -
#58
2.0.1¶
30 July 2024
- docs: clarified configuration documentation
#57
2.0.0¶
29 July 2024
- feat: refined UX and docs
#56
- Updated and modernized docs and CLI
#55
- refactor: switched to low-level generated code
#54
1.6.0¶
9 July 2024
- feat: disabled printing context for compute cluster and hardware which the platform no longer provides
#53
- fix: dataframe better matches DB
#50
- feat: nicer headers for docs
#48
- chore: added documentation writers and designers to code owners
#49
- feat(docs): updated theme to new brand identity
#47
1.5.0¶
21 June 2024
1.4.2¶
13 June 2024
- fix: URLs for nucleus now have a trailing slash
#44
1.4.1¶
12 June 2024
- feat: shortcut when running in AWS lambda; read config values from env
#43
1.4.0¶
11 June 2024
- feat: supports reading tokens from env
#42
1.3.2¶
11 June 2024
- fix: fixed client not having the right props
#41
1.3.1¶
11 June 2024
- fix: fixed a bug where attributes were't being set correctly
#40
1.3.0¶
11 June 2024
- feat(client): client can now be configured without config files
#39
- fix: renamed formiclabs to deeporiginbio
#38
- Dataframe improvements
#37
- fix: set default configuration to production settings
#35
1.2.0¶
29 May 2024
- refactor(testing): moved mock client out of source
#34
- fix(managed-data): improvemented to managed-data
#33
0.1.1¶
17 May 2024
- fix(CLI): fixed a bug where
deep-origin
was still being used#32
- fix(docs): added info about variables
#31
- feat(docs): added pypi badge
#29
0.1.0¶
10 May 2024
- refactor(CLI): overhauled how tokens are handled and cached
#28
- feat(managed-data): support for more functionality
#26
- fix(testing): re-enabled test on windows
#27
- fix(testing): added windows tests
#25
0.0.7¶
2 May 2024
- refactor(CLI): removed a controller and added a config command
#24
- fix(managed-data): many small improvements
#23
0.0.6¶
1 May 2024
- fix(managed-data): fixed a bug with multiple root items
#22
0.0.5¶
1 May 2024
- feat(infra): avoided error messages in repeated installations
#20
- fix(managed-data): fixed a bug in dynamic git version
#21
- feat(docs): expanded docs to show auth
#19
0.0.4¶
26 April 2024
- feat(docs): expanded docs
#18
- feat(docs): refined documentation
#17
- Started work on documentation system + support for merging DBs from CLI
#16
- fix(testing): better coverage
#15
- fix(infra): better install that links the executable
#14
- feat(pypi): publishing to pypi
#13
0.0.3¶
18 April 2024
- feat(pypi): ready to publish
937e78e
0.0.2¶
18 April 2024
- fix(pypi): restoring author info
55204f0
0.0.1¶
18 April 2024
- fix(docs): cleaned up readme
#12
- fix(testing): all tests pass locally now
#11
- fix(testing): made some more tests work
#10
- feat(managed-data): Support for multiple databases and operations on them
#9
- feat(managed-data): support for getting cell data
#8
- refactor(cli): changed how endpoints are stored in config file
#7
- Better Testing
#1
- initial commit
e95b4ad
- feat(pypi): publishing to pypi
b20a72e
- feat(pypi): wheel should build now
e49fc79