hsidky / dmapsLinks
C++ Accelerated Python Diffusion Maps Library
☆23Updated 6 years ago
Alternatives and similar repositories for dmaps
Users that are interested in dmaps are comparing it to the libraries listed below
Sorting:
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 2 years ago
- Get access to our MD data files.☆29Updated last year
- ☆36Updated 5 years ago
- Learning free energy landscapes using artificial neural networks☆14Updated 7 years ago
- C++ implementation of the Diffusion Map, with Python bindings☆10Updated 7 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 3 years ago
- Normal Mode Analysis for Macromolecules☆17Updated 8 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆18Updated last year
- Graph Inference on MoLEcular Topology☆26Updated 2 years ago
- ☆26Updated 2 years ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆15Updated 6 years ago
- ☆13Updated 5 years ago
- CHAP is a tool for the functional annotation of ion channel structures:☆21Updated last year
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆17Updated last year
- Data visualizations for biomolecular dynamics☆18Updated 6 years ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆16Updated 2 months ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- ☆25Updated 2 years ago
- Locally-Scaled Diffusion Maps, DM-d-MD☆12Updated 9 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆10Updated 3 years ago
- A Deep Learning based protein flexibility prediction tool.☆9Updated 2 years ago
- An efficient method for the conversion from internal to Cartesian coordinates that utilizes the platform-agnostic JAX Python library.☆17Updated last year
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Updated 8 months ago
- A software research tool for the analysis of structural communication in protein ensembles☆13Updated 3 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Updated 3 years ago
- VMD Audio/Text control with natural language☆19Updated 4 years ago
- Repository for Chemical Perception Sampling Tools☆20Updated 10 months ago
- ☆42Updated last month