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42 Open 19 Closed
42 Open 19 Closed
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Issues list

TKY2 Result failure with gather
#141 opened May 2, 2024 by mikemhenry
Slim down results pulled into showcase
#140 opened May 1, 2024 by mikemhenry
Drop OSX from testing matrix
#139 opened May 1, 2024 by mikemhenry
1
Issue with cookbook/choose_protocol.ipynb
#138 opened May 1, 2024 by mikemhenry
2
Implementation: Build Scaffold Hop & Charge Change Network planner
#133 opened Apr 23, 2024 by RiesBen
Implementation: Build Charge Change Network planner
#132 opened Apr 23, 2024 by RiesBen
Implementation: Build Scaffold Hop Network planner
#131 opened Apr 23, 2024 by RiesBen
Test everything that can be tested
#130 opened Apr 21, 2024 by IAlibay
@mikemhenry
1
ImportError in RBFE showcase bug Something isn't working
#126 opened Apr 16, 2024 by mattwthompson
@mikemhenry
1
showcase: include Ben's HREX gif?
#115 opened Mar 4, 2024 by richardjgowers
@RiesBen
Showcase: Cinnabar usage
#114 opened Mar 4, 2024 by richardjgowers
@richardjgowers
Showcase: Include structural analysis section
#113 opened Mar 4, 2024 by richardjgowers
@richardjgowers
Showcase: Include energetics analysis section
#112 opened Mar 4, 2024 by richardjgowers
Showcase: Include data created by execution in notebook repo
#111 opened Mar 4, 2024 by richardjgowers
@mikemhenry
Showcase: Write call to action at end of the notebook
#110 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Add visualisation of ligand network topology
#109 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Include mention of other possible Protocols after introducing RFE
#108 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Document atom mapping scoring metrics
#107 opened Mar 4, 2024 by richardjgowers
@RiesBen
Showcase: Document possible options in networks
#106 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Document possible options in mapping
#105 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Switch to tyk2 system throughout
#104 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
1
Showcase: Write proper introduction to showcase notebook
#103 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Showcase: Better looking top matter
#102 opened Mar 4, 2024 by richardjgowers
1
@hannahbaumann
Update tutorials/notebooks with new settings 1.0docdrive
#96 opened Feb 16, 2024 by hannahbaumann
@IAlibay
1
Notebook for RHFEs 1.0docdrive
#93 opened Jan 19, 2024 by IAlibay
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