321 to 327 of 327 Results
Unknown - 14.9 KB -
MD5: 4758356c8730634da23c7a5e65a9eeac
Topology file of the guest molecule GT5 in the protonated state in .top format. |
Nov 25, 2021 -
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
Gzip Archive - 291.5 MB -
MD5: 8d02b26f3e61997c947c6fecbae2a403
Contains simulation data (in-/output, scripts) from alchemical double decoupling |
Nov 25, 2021 -
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
Gzip Archive - 3.4 MB -
MD5: c700659d5c6c890fdac4b1d9dff636ce
Contains simulation data (in-/output, scripts) from Umbrella Sampling |
Feb 15, 2021 -
2d microstructure data
Hierarchical Data Format - 967.9 MB -
MD5: 8d93bd9af6585b0f63257c571920752c
hdf5 file containing all the data |
Feb 15, 2021 -
2d microstructure data
Python Source Code - 2.3 KB -
MD5: 8088ddd98656e04611bdf589220baf99
code to recompute/reproduce the data used for the regression problem |
Feb 15, 2021 -
2d microstructure data
Python Source Code - 1.9 KB -
MD5: be74203ddeb47af439f3cbc33594ac92
an example on how to access data stored in the hdf5 file |
Feb 15, 2021 -
2d microstructure data
Python Source Code - 3.8 KB -
MD5: 24355f5d0f71131cf836137a375fce75
dependency file for 'compute_regression_data.py' |