Adds virtual screening submission format #62
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@haroldgrosjean can you check this and see if it looks OK? Would be good also have to have a @MehtapIsik and/or @bergazin check. |
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We should consistently refer to this component as "Stage 1" instead of Phase 1 or virtual screening component.
I suggest renaming the screening_format.txt file as stage1_submission_template.txt. I think participants can find this file easier if the submission template is in the name. It will also be clearer in the future when the repo contains multiple stages which submission template is which.
protein_ligand/README.md
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| ## Overall participation instructions | ||
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| Instructions on overall participation in this challenge/challenge rules are given in [../protein_ligand_instructions.md](../protein_ligand_instrucitons.md). This document provides challenge details as well as specifics for each stage. | ||
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| ## Phase 1: Discrimination of binders from non-binders at specific sites |
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This title should be "Stage 1" instead of "Phase 1" here to be consistent. We have decided to use the phase term for groups of SAMPL challenges such as SAMPL6, SAMPL7.
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I added a description for the following method categories: I replaced simulation with MD because in some sources docking is also referred as simulation. I also thought it would be a good idea to let people assign multiple categories instead of a mixed category. I added instructions to separate multiple categories with a comma. Are these categories and descriptions appropriate? I included category descriptions both in submission template and the |
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I think those categories are appropriate. I'll review the descriptions and edit directly if needed. |
Adds virtual screening submission format and additional information on handling of that component. Also clarifies how this will work to hopefully address #60 -- breaking out analysis by site.