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15,831 to 15,840 of 16,240 Results

train.py Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1] Python Source Code - 10.8 KB - MD5: 7aba787aeb378b4cc8e910d38491b362
using_bmdal.ipynb Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1] Jupyter Notebook - 176.0 KB - MD5: f0a3c1375b6a5c208c82defde288feca
utils.py Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1] Python Source Code - 7.4 KB - MD5: f612e49528fcb4c2b9edd09209db527a
visualize_lcmd.py Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1] Python Source Code - 2.9 KB - MD5: 73fa0d1da429485890f0c8f3845303e4
Analysis_Contact_Maps_Analysis.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 2.0 KB - MD5: b0a2caadbfb0c6ae3e16e468810d8c2e Follow-up python script for "Analysis_Contact_Maps.py"
Analysis_Contact_Maps.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 8.1 KB - MD5: 7bf709c86e3e19e740e6f74ca723efa6 Python script to analyse the contacts of a trajectory (needs follow up script "Analysis_Contact_Maps_Analysis.py").
Analysis_Peptide_Unfolding.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 6.0 KB - MD5: 083105216742702a9cd08fca114b8106 Python script to analyse the unfolding behavior of a peptide in a sMD simulation.
Analysis_RMSD-C_N_Distance_Correlation.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 7.1 KB - MD5: be9e0a85075a865bc8c8b9fab8f9f8bb Python script to analyse the correlation of RMSD and C-to-N-terminal distance of a trajectory. Intentionally used for sMD. (optional script)
Analysis_SN2-Transistion_States.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 3.6 KB - MD5: 56825bb781e96d9e4ac27d37222b7931 Python script to analyse the SN2 transition states in a trajectory.
Enspara_Clustering_Analysis.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 1.4 KB - MD5: 52c57eb9028afc94ccc2504c680e1ef6 Python script to analyse the output of the enspara output files (generated with "Enspara_Command.txt")

train.py

Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1]

Python Source Code - 10.8 KB -

using_bmdal.ipynb

Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1]

Jupyter Notebook - 176.0 KB -

utils.py

Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1]

Python Source Code - 7.4 KB -

visualize_lcmd.py

Apr 13, 2022 - Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1]

Python Source Code - 2.9 KB -

Analysis_Contact_Maps_Analysis.py

Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide

Plain Text - 2.0 KB -

Follow-up python script for "Analysis_Contact_Maps.py"

Analysis_Contact_Maps.py

Plain Text - 8.1 KB -

Python script to analyse the contacts of a trajectory (needs follow up script "Analysis_Contact_Maps_Analysis.py").

Analysis_Peptide_Unfolding.py

Plain Text - 6.0 KB -

Python script to analyse the unfolding behavior of a peptide in a sMD simulation.

Analysis_RMSD-C_N_Distance_Correlation.py

Plain Text - 7.1 KB -

Python script to analyse the correlation of RMSD and C-to-N-terminal distance of a trajectory. Intentionally used for sMD. (optional script)

Analysis_SN2-Transistion_States.py

Plain Text - 3.6 KB -

Python script to analyse the SN2 transition states in a trajectory.

Enspara_Clustering_Analysis.py

Plain Text - 1.4 KB -

Python script to analyse the output of the enspara output files (generated with "Enspara_Command.txt")

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