Materials Intelligence Research group

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1 to 10 of 157 Results

Multitask machine learning collective variable for 5D models and alanine dipeptide Dec 30, 2021 - Multitask machine learning of collective variables for enhanced sampling of rare events Sun, Lixin, 2021, "Multitask machine learning collective variable for 5D models and alanine dipeptide", https://doi.org/10.7910/DVN/XLD7VD, Harvard Dataverse, V1 Simulation scripts, training scripts, and training/test sets for 5D Mueller-Brown and three-hole model published in the paper.
0.0-0.0.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 503 B - MD5: c2cc93d8cbe83627ac41887ea9181327 NDsimulatorpython python source code of NDSimulator
0.0-1.6.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 500 B - MD5: 26b85a60a669fbb9abefa56ef1d51cce NDsimulatorpython python source code of NDSimulator
0.0-3.1.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 500 B - MD5: 3f4d2e51b8c533605040fe93149c5f20 NDsimulatorpython python source code of NDSimulator
0.0-4.7.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 502 B - MD5: f3c9ec193050e307c789bd6a5fbbcdb9 NDsimulatorpython python source code of NDSimulator
0.8-0.8.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 537 B - MD5: c7748bc62cde5e1f5c585616e4be6303 NDsimulatorpython python source code of NDSimulator
0.8-2.4.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 538 B - MD5: eecfbdaa84b03704c4a7e7db84cb80df NDsimulatorpython python source code of NDSimulator
0.8-3.9.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 539 B - MD5: c8d09fa22cbb4aef7e2dd1c471f00ebc NDsimulatorpython python source code of NDSimulator
0.8-5.5.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 538 B - MD5: 6e2b20b35d545b97e9e2747b0181ea5c NDsimulatorpython python source code of NDSimulator
1.6-0.0.json Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide Plain Text - 500 B - MD5: 6972f6be93b39e8b21494926076d9e32 NDsimulatorpython python source code of NDSimulator

Multitask machine learning collective variable for 5D models and alanine dipeptide

Dec 30, 2021 - Multitask machine learning of collective variables for enhanced sampling of rare events

Sun, Lixin, 2021, "Multitask machine learning collective variable for 5D models and alanine dipeptide", https://doi.org/10.7910/DVN/XLD7VD, Harvard Dataverse, V1

Simulation scripts, training scripts, and training/test sets for 5D Mueller-Brown and three-hole model published in the paper.

0.0-0.0.json

Dec 30, 2021 - Multitask machine learning collective variable for 5D models and alanine dipeptide

Plain Text - 503 B -

NDsimulatorpython