Appointment: Associate Professor

Research topics:

• To use computational tools from PDE, differential geometry, algebraic topology and statistical learning to study the biomolecular structure, flexibility, dynamics, and functions.
• Topological data analysis (TDA), topology based machine learning/deep learning models, and their applications in drug design.

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31 to 40 of 59 Results
ollivier_HBN.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 19.7 KB - MD5: 40b7bf6a2a17727078ffc7b2dc52af21
OllivierRicci.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 32.8 KB - MD5: 02ae4b81dae4f66794e254531ff2d971
ORC_PLB_2007_IDM_lig_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 4.6 KB - MD5: be0a45389b2ec1f2db4a1e032a931b27
ORC_PLB_2007_IDM_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 13.4 KB - MD5: 7004a61b2e9697b323be72cff23266a8
ORC_PLB_2007_IDM_train.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 17.3 KB - MD5: 8812499927448dbec4bce2f05cd61382
ORC_PLB_2013_IDM_lig_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 4.6 KB - MD5: 0ac067a08a13d08a5b8f5e95dcb4b617
ORC_PLB_2013_IDM_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 13.4 KB - MD5: 95e79fb210f0932a32f5885991aee6f2
ORC_PLB_2013_IDM_train.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 18.1 KB - MD5: 8d2695ec6ba1d0db97fc59f92b52eb21
ORC_PLB_2016_IDM_lig_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 4.5 KB - MD5: cb879ccca90375ff7ccc9211639dfd57
ORC_PLB_2016_IDM_ML.py
Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction
Python Source Code - 13.4 KB - MD5: 14b04dd7ca4c316660ec7630372b439d
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