Resources
Data Libraries
- 2D data library for chemical, biophysical, and biological information
- 3D data library for chemical, biophysical, and biological information
Software and Repositories
- MIBPB: Online server for electrostatic analysis using the second-order accurate Poisson-Boltzmann solver.
- ESES: Open-source online server for the generation of Eulerian solvent excluded surface.
- PPD: Online server for Protein Pocket Detection.
- FRI: Online server for biomolecular flexibility analysis based on flexibility and rigidity index.
- RI-Score: Online server for geometric graph theory or rigidity index-based protein-ligand binding affinity prediction.
- TML-BP: Topological learning for protein-ligand binding affinity prediction.
- TML-MP: Topology-based machine learning for protein folding stability change upon mutation.
- TDL-BP: Topological deep learning for protein-ligand binding affinity prediction.
- TDL-MP: Topological deep learning for protein folding stability change upon mutation.
- TopP-S: Topological learning of partition coefficient (LogP) and aqueous solubility (LogS).
- TopTox: Element-specific topological descriptors for toxicity endpoint predictions.
- DG-GL: Differential geometry-based geometric learning of molecular datasets.
- AGL-Score: Algebraic graph theory-based protein-ligand binding scoring, ranking, docking, and screening.
- GGL-Tox: Geometric graph learning of Tox21 predictions.
- HERMES: Open-source software package for simultaneous topological persistence and shape of data.
- CCP: Correlated Clustering and Projection for dimensionality reduction.
- TDL-FP: Protein function prediction using topological deep learning.