OpenFE 2024 Industry Benchmarking Project, Results from Merck private Dataset 2

Schindler, Christina; Linker, Stephanie Maria

doi:10.5281/zenodo.14536277

Published December 20, 2024 | Version v1

Dataset Open

OpenFE 2024 Industry Benchmarking Project, Results from Merck private Dataset 2

Schindler, Christina (Contact person)
Linker, Stephanie Maria (Data collector)¹

1. Merck KGaA

OpenFE 2024 Industry Benchmarking Project, Results from private set Merck 2. OpenFE version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024

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merck_private_G.zip

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merck_private_G.zip md5:8e29f576724dfee67c79d947c096f6d4	15.1 GB	Preview Download

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Zenodo

License: Creative Commons Attribution 4.0 International

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Technical metadata

Created: January 13, 2025
Modified: January 13, 2025

OpenFE 2024 Industry Benchmarking Project, Results from Merck private Dataset 2

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Files

merck_private_G.zip

Files (15.1 GB)