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Releases: choderalab/neutromeratio

Droplet Free Energy Simulations

04 Aug 08:23
@wiederm wiederm
0.3
3345ca3
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Droplet Free Energy Simulations Pre-release
Pre-release

This release was used to obtain result for the droplet simulations with ANI1-ccx and ANI2-x and the parameter retraining for both QML potentials.

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Vacuum Free Energy Simulations

26 Feb 09:17
@wiederm wiederm
0.2
679afeb
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Vacuum Free Energy Simulations Latest
Latest

This release reproduced the alchemical rree energy and refitting results described here:
https://www.biorxiv.org/content/10.1101/2020.10.24.353318v4

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Vacuum Free Energy Simulations

17 Nov 12:04
@wiederm wiederm
v0.1-beta.1
c219e75
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
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Vacuum Free Energy Simulations

This release reproduced the Alchemical Free Energy results described here:
https://www.biorxiv.org/content/10.1101/2020.10.24.353318v3

Assets 2
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