OpenFE 2024 Industry Benchmark Project, Results from Genentech. merck: cdk8; jacs_set: thrombin; misc: cdk8

Swope, William; Wei, Binqing; Suriana, Patricia; Purkey, Hans

doi:10.5281/zenodo.14480268

Published December 14, 2024 | Version v1

Dataset Open

OpenFE 2024 Industry Benchmark Project, Results from Genentech. merck: cdk8; jacs_set: thrombin; misc: cdk8

OpenFE 2024 Industry Benchmarking Project. Results from merck: cdk8; jacs_set: thrombin; misc: cdk8. OpenFE Version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024

Files

jacs_set_thrombin.zip

Files (5.9 GB)

Name	Size
jacs_set_thrombin.zip md5:af6cf94bc4c26aaa6f23b4f43fc4bd7f	1.1 GB	Preview Download
merck_cdk8.zip md5:e846adbc06ae671f40b43fb719cf376d	3.9 GB	Preview Download
misc_cdk8.zip md5:ce9db4011092ce5471b9943c316f46d2	912.6 MB	Preview Download

124

Views

Downloads

Show more details

	All versions	This version
Views	124	124
Downloads	67	67
Data volume	142.7 GB	142.7 GB

More info on how stats are collected....

DOI

Resource type

Dataset

Publisher

Zenodo

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

Technical metadata

Created: December 16, 2024
Modified: December 16, 2024

OpenFE 2024 Industry Benchmark Project, Results from Genentech. merck: cdk8; jacs_set: thrombin; misc: cdk8

Authors/Creators

Description

Files

jacs_set_thrombin.zip

Files (5.9 GB)