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Release and update main #98

Merged
merged 301 commits into from
Jul 1, 2024
Merged

Release and update main #98

merged 301 commits into from
Jul 1, 2024

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prtos
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@prtos prtos commented Jun 11, 2024

Checklist:

  • Was this PR discussed in a issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
  • Update the API documentation is a new function is added or an existing one is deleted.

mcneela and others added 30 commits March 5, 2024 15:31
@mcneela
updated subsets for DES370K
5cb57d9
@mcneela
added download url for des5m_interaction
e18b710
@mcneela
updated README with new datasets
54cadbf
@mcneela
Merge branch 'metcalf' into interaction
7f83eb5
@mcneela
Added DES5M dataset
a922ef7
@mcneela
added des_s66 dataset
2146058
@mcneela
added DESS66x8 dataset
4d9a4ba
@mcneela
small update to __init__ file
c2229e3
@mcneela
added L7 dataset
9349454
@mcneela
added X40 dataset
c3bdc64
@mcneela
add new datasets to __init__.py
23c0739
WIP
e03c6b1
@mcneela
added splinter dataset
74f87a6
@mcneela
fixed a couple splinter things
f046ea9
@mcneela
update default data shapes for interaction datasets
3c84ee9
@mcneela
updated test_dummy.py with new import structure
04c81ae
@mcneela
fix test_import.py
11e2858
Merge branch 'develop' into minor_fixes
f394953
Correct units for Transition1X
362d0f4
Merge branch 'refactoring' into minor_fixes
8ca966a
@FNTwin
Merge pull request #34 from OpenDrugDiscovery/minor_fixes
088d457 
Improvements to Dummy Dataset
Cli docs + readme
1e6652f
Merge branch 'refactoring' of https://github.com/OpenDrugDiscovery/op…
b297cef 
…enQDC into refactoring
Cli update
56d1d1b
Implemented force_mask
03be712
@mcneela
code cleanup for the linter
78f0423
Dummy fix
c12ccba
Force mask improvement
9ac602e
@mcneela
fix ani import
bd58fdf
@mcneela
Merge branch 'refactoring' into interaction
5dfcf55
@prtos prtos requested a review from FNTwin June 11, 2024 22:37
@FNTwin FNTwin merged commit 4e316b9 into main Jul 1, 2024
7 checks passed
@FNTwin FNTwin deleted the develop branch July 10, 2024 20:47
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5 participants
@prtos @FNTwin @mcneela @shenoynikhil @jstlaurent