The thermotools package is a lowlevel implementation toolbox for the analyis of multi-ensemble calculations. It contains estimators for the state-continuous transition-based reweighting analysis method (TRAM) and its state-discrete variant (dTRAM), Bennet acceptance ratio (BAR) and its multi-state variant (MBAR), and the weighted histogram analysis method (WHAM). While you can use thermotools on its own, we recommend to use it in combination with PyEMMA.
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Release files for thermotools 0.2.7
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| File | Size | Uploaded | Provenance | Actions |
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| thermotools-0.2.7.tar.gz | 865.8 kB | Without provenance | Details for thermotools-0.2.7.tar.gz |
Release files / thermotools-0.2.7.tar.gz
| Download URL | thermotools-0.2.7.tar.gz |
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| Size | 865.8 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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twine/1.11.0 pkginfo/1.4.2 requests/2.18.4 setuptools/39.2.0 requests-toolbelt/0.8.0 tqdm/4.23.4 CPython/3.6.5
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