Thermodynamically Explainable Representations of AI and other black-box Paradigms
☆35Nov 3, 2024Updated last year
Alternatives and similar repositories for TERP
Users that are interested in TERP are comparing it to the libraries listed below
Sorting:
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 2 years ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated 7 months ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- ☆13Feb 20, 2024Updated 2 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- Convenience functions for VMD-TCL scripting☆14Jul 16, 2025Updated 7 months ago
- A python package for performing GROMACS simulation ensembles☆17Feb 1, 2026Updated last month
- Density based object completion over PBC.☆30Dec 10, 2024Updated last year
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- ☆14Mar 3, 2025Updated last year
- Repository of the data for PLUMED Masterclass 22.3☆14Jul 10, 2024Updated last year
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 5 months ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆17Jun 9, 2021Updated 4 years ago
- Adaptive sampling algorithms for molecular transitions☆25Feb 11, 2026Updated 2 weeks ago
- Summer 2020 reading group on uncertainty quantification☆23Jul 24, 2020Updated 5 years ago
- Gromacs topology template generator☆15Jul 15, 2021Updated 4 years ago
- Official repository for BagPype - Biomolecular atomistic graph construction software in Python for proteins etc☆23Apr 16, 2024Updated last year
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆45May 3, 2020Updated 5 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Jun 6, 2024Updated last year
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 3 years ago
- ☆14Mar 23, 2021Updated 4 years ago
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆25Oct 27, 2023Updated 2 years ago
- C++ Accelerated Python Diffusion Maps Library☆23Aug 28, 2018Updated 7 years ago
- ☆29May 31, 2023Updated 2 years ago
- GridMAT-MD membrane analysis program☆25Sep 15, 2018Updated 7 years ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- ROck slope Kinematic Analysis, perform an ad-hoc stability/kinematic analysis of rock cliff using 3D models and 3D fracture data☆31Jan 29, 2025Updated last year
- STEM: Numerical model to simulate railway induced vibrations☆15Updated this week
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆31Jan 21, 2026Updated last month
- Python Tools for NAMD☆24May 7, 2025Updated 9 months ago
- ☆30Feb 17, 2024Updated 2 years ago
- A ArcGIS tool of landslide susceptibility mapping based on support vector machines☆37Sep 7, 2025Updated 5 months ago
- Correlation-based feature selection of Molecular Dynamics simulations☆29Nov 25, 2025Updated 3 months ago
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 7 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- This project is divided in a two parts. In first study, Lame parameters are identified using tanh activation function. After that, six a…☆13Nov 17, 2022Updated 3 years ago
- Finite Element Code for Elasto-plastic Analysis of Slope Stability☆31Nov 17, 2021Updated 4 years ago
- Coupled surface-subsurface flow solver☆11Dec 20, 2025Updated 2 months ago
- Repository of D-Claw or Geoclaw applications.☆11Jun 5, 2024Updated last year