Library for diffusion maps
☆47Dec 22, 2021Updated 4 years ago
Alternatives and similar repositories for pyDiffMap
Users that are interested in pyDiffMap are comparing it to the libraries listed below
Sorting:
- C++ Accelerated Python Diffusion Maps Library☆23Aug 28, 2018Updated 7 years ago
- ☆10Sep 16, 2020Updated 5 years ago
- Locally-Scaled Diffusion Maps, DM-d-MD☆12May 12, 2016Updated 9 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆20Sep 12, 2023Updated 2 years ago
- Diffusion map based embedding and alignment☆68Mar 2, 2022Updated 4 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- Convenience functions for VMD-TCL scripting☆14Jul 16, 2025Updated 8 months ago
- Main repository for METAGUI3☆20Jun 19, 2021Updated 4 years ago
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated last year
- Implementation of a machine learned density functional☆36Jun 17, 2024Updated last year
- Spectral Alignment of Graphs☆11Mar 26, 2017Updated 8 years ago
- ☆15Apr 7, 2022Updated 3 years ago
- Multiscale earth mover's distance methods for tree and manifold structured data☆12Mar 8, 2025Updated last year
- C++ implementation of the Diffusion Map, with Python bindings☆10Aug 22, 2017Updated 8 years ago
- Adaptive sampling algorithms for molecular transitions☆25Updated this week
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- Persistence differentiation with Gudhi and Tensorflow☆20Sep 28, 2023Updated 2 years ago
- Graph Learning from Data☆36Nov 5, 2019Updated 6 years ago
- JuBrain Anatomy Toolbox☆23Jun 17, 2019Updated 6 years ago
- ☆22Mar 10, 2021Updated 5 years ago
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- Collective variables by artificial neural networks☆10Mar 16, 2022Updated 4 years ago
- Code corresponding to the paper Diffusion Earth Mover's Distance and Distribution Embeddings☆38Nov 29, 2024Updated last year
- Bipartite Configuration Model for Python☆16Dec 10, 2020Updated 5 years ago
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆18Feb 8, 2024Updated 2 years ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Mar 13, 2018Updated 8 years ago
- ☆11Aug 26, 2024Updated last year
- Vogt-Bailey index toolbox in Python☆12May 15, 2025Updated 10 months ago
- Lorentzian Distance Learning for Hyperbolic Representations: Retrieval experiments☆13May 28, 2019Updated 6 years ago
- rid☆23Aug 15, 2021Updated 4 years ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆48Feb 11, 2021Updated 5 years ago
- ☆20Oct 3, 2024Updated last year
- Some scikit-learn-esque wrappers for statsmodels GLM☆23Jul 26, 2013Updated 12 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Wind analysis package☆22Jun 24, 2019Updated 6 years ago