MobleyLab benchmarksets issues

MobleyLab / benchmarksets

Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards

BSD 3-Clause "New" or "Revised" License

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Update text to reflect host-guest sets added in #22

#24 davidlmobley closed 7 years ago
1
Add README.md for host-guest inputs; add additional info

#23 davidlmobley opened 7 years ago
0
Add host-guest benchmark sets from Gilson lab

#22 ghost closed 7 years ago
1
Update readme.md with version 1.1 DOI, update manuscript for ongoing development

#21 davidlmobley closed 7 years ago
0
Incorporate things we'd cut for space reasons and edit them/polish; add version number, date

#20 davidlmobley closed 7 years ago
3
Forgot to upload latest PDF

#19 davidlmobley closed 8 years ago
0
Fix minor issues before some more extensive tweaks

#18 davidlmobley closed 8 years ago
0
Include link to BindingDB host-guest data which is now up

#17 davidlmobley closed 8 years ago
1
Fix PDB code in table

#16 davidlmobley closed 8 years ago
1
Update lysozyme figures with residue labeling

#15 davidlmobley opened 8 years ago
0
Split out sections into separate TeX files for better editing

#14 davidlmobley opened 8 years ago
10
Technical tweaks

#13 slochower closed 8 years ago
3
[WIP: Edit/Decide}: Add back prior discussion on need for workflow science

#12 davidlmobley closed 8 years ago
1
[WIP: Edit/Decide] Adding in much more extensive set of potential future benchmarks

#11 davidlmobley closed 8 years ago
1
[Decide] Re-insert two small paragraphs which were removed for space reasons

#10 davidlmobley closed 8 years ago
1
Decide whether to write and include info on what new benchmarks are most needed

#9 davidlmobley opened 8 years ago
0
Connect with Zenodo for citeable DOIs for versions of this repo

#8 davidlmobley closed 8 years ago
1
Resurrect my spec sheet for benchmark set data

#7 davidlmobley opened 8 years ago
0
Decide what criteria benchmark systems should meet

#6 davidlmobley opened 8 years ago
0
Provide guidance on here about documenting benchmark systems

#5 davidlmobley opened 8 years ago
0
Add additional supporting data on host-guest and lysozyme systems

#4 davidlmobley opened 8 years ago
0
Attempt to associate benchmarks with readily available computational materials

#3 davidlmobley opened 8 years ago
0
Attempt to associate benchmarks with readily available experimental materials

#2 davidlmobley opened 8 years ago
0
Put raw data for paper tables here in a more easily accessible format

#1 davidlmobley opened 8 years ago
0