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11 to 19 of 19 Results
analysis.tar
Mar 11, 2024 - Supplementary material for `Dynamic renormalization of scalar active field theories`
TAR Archive - 222.5 KB - MD5: 7b0deec17a46b036bd248e05dd4943d9
A folder which is used for the analysis of the Active Model B+ and the Model B with the extra cubic term.
simulations.tar
Mar 11, 2024 - Supplementary material for `Dynamic renormalization of scalar active field theories`
TAR Archive - 336.5 MB - MD5: 4ff3c921aa8256d048b99627ec2e4e77
A folder which is used for the flow equations of the modified cKPZ and for the numerical simulations of the stochastic partial differential equation using py-pde.
tutorials.tar
Mar 11, 2024 - Supplementary material for `Dynamic renormalization of scalar active field theories`
TAR Archive - 265.5 KB - MD5: 22587259898d336dcdaec655f0f4b40c
A folder which introduces how to use the package ``restflow''.
MSMs.tar.gz
Aug 9, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Gzip Archive - 10.9 KB - MD5: 6750c8586d9f50f98a8a6dba9a566a78
Archive containing Jupyter notebooks which follow the modeling pipeline to the markov state modeling step and allow to reproduce latent spaces as well as MSMs.
ReadMe.txt
Aug 9, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Plain Text - 2.4 KB - MD5: df8fbd6c71eac443271c629757f89981
Text file describing the folder structure and data
e2e_dists.tar.gz
Jun 21, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Gzip Archive - 5.1 MB - MD5: fe94bb13a7edaf43d0dbd6ec5975d67f
Archive containing the timeseries of the end-to-end distance of deca-alanine for each of the harvested trajectories in raw_data
FELs.tar.gz
Jun 21, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Gzip Archive - 241.1 MB - MD5: 7e1e0ba3455e249ee363ba3eea52c1a4
Archive containing interactive visualizations of the free energy landscape with its average structures in TICA/EncoderMap space
raw_data.tar.gz
Jun 21, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Gzip Archive - 481.2 MB - MD5: 04a1dfeb7bfbc98747501d83c54097db
Archive containing the trajectories in xtc format harvested in the respective ensembles (biasing forces of 0-15 kJ/(mol nm))
simulation_parameters.tar.gz
Jun 21, 2023 - Supplementary material for 'Towards a structural identification of metastable molecular conformations'
Gzip Archive - 43.0 MB - MD5: 3a0c29c7a31c58abfa055fa91417f849
Archive containing all of the files to reproduce the trajectories in raw_data
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