benmaier / smallworld
Generate and analyze small-world networks according to the revised Watts-Strogatz model where the randomization at β = 1 is truly equal to the Erdős-Rényi network model.
☆19Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for smallworld
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 2 years ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆24Updated last year
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆19Updated last year
- ☆12Updated 4 years ago
- Deep Supervised Graph Partitioning Model☆14Updated 3 years ago
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 3 years ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆20Updated 2 years ago
- Junctional Tree Variational Auto-encoder☆18Updated 4 years ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆21Updated 2 weeks ago
- coming soon☆28Updated last year
- ☆14Updated 5 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Neural relational inference for molecular dynamics simulations☆54Updated last year
- MoleculeNet benchmark dataset & MolMapNet dataset☆61Updated 2 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆17Updated last year
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆13Updated 2 years ago
- ☆17Updated last year
- ☆24Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆59Updated last month
- python library for dimensionality reduction☆29Updated last year
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆36Updated last month
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆53Updated last year
- Computes a molecular graph for protein structures.☆58Updated this week
- Geometric super-resolution for molecular geometries☆38Updated 2 years ago
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆14Updated 2 weeks ago
- A collection of tutorials for the python implementation of Dynamical Network Analysis