Xia Kelin

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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11 to 20 of 59 Results

build_lig_2013.py Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Python Source Code - 5.0 KB - MD5: d29767025776d11799e1537143538959
build_lig_2016.py Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Python Source Code - 5.7 KB - MD5: 072bdd541bb2abe98dcd7aa52258cb51
_config.yml Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Unknown - 26 B - MD5: d178df8a46be3ea7f599296e24430ce0
conf.py Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Python Source Code - 3.1 KB - MD5: cb0fe95228315093cd0de73aa0b81189
environment.yml Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Unknown - 189 B - MD5: e1bcb9b0f844dad47866c931fecc3c95
example.py Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Python Source Code - 2.9 KB - MD5: 4687780ba1bc4b981891e61fe9b40048
FormanRicci.py Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Python Source Code - 6.5 KB - MD5: 375e61cbe013ba54d42212529ae88238
.gitattributes Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Unknown - 564 B - MD5: 9cfac7dd85753ebe44235e7757a09f93
.gitignore Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Unknown - 122 B - MD5: 3d79b2659ae13e1196fbe40403e341ae
.gitmodules Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction Unknown - 92 B - MD5: 2cc5b5785aa34b0733e4dda8c410b02c

build_lig_2013.py

Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction

Python Source Code - 5.0 KB -

build_lig_2016.py

Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction

Python Source Code - 5.7 KB -

_config.yml

Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction

Unknown - 26 B -

conf.py

Apr 2, 2021 - Replication Data for: Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein–Ligand Binding Affinity Prediction

Python Source Code - 3.1 KB -