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Releases: choderalab/thermopyl

v1.0.1

19 Mar 20:26
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This release includes additional tools to make loading the ThermoML Archive into a pandas dataframe easier.

Initial release corresponding to arXiv:1506.00262

29 Jul 14:52
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This initial release is intended to provide the exploratory functionality described in the arXiv preprint:

Towards Automated Benchmarking of Atomistic Forcefields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive
Kyle A. Beauchamp, Julie M. Behr, Ariën S. Rustenburg, Christopher I. Bayly, Kenneth Kroenlein, John D. Chodera
http://arxiv.org/abs/1506.00262

v0.1

24 Apr 16:55
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Merge pull request #10 from kyleabeauchamp/lowmem

[WIP] Avoid copy and memory usage in parsing script.