☆30May 31, 2023Updated 2 years ago
Alternatives and similar repositories for State-Predictive-Information-Bottleneck
Users that are interested in State-Predictive-Information-Bottleneck are comparing it to the libraries listed below
Sorting:
- Python rich client for visual protein Sequence to Structure Analysis☆19Feb 26, 2026Updated last week
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆32Dec 18, 2025Updated 2 months ago
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated last week
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆45May 3, 2020Updated 5 years ago
- Home of the public Martini 3 lipid parameters☆19Sep 29, 2025Updated 5 months ago
- Main repository for METAGUI3☆20Jun 19, 2021Updated 4 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- ☆21Dec 11, 2024Updated last year
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- Python based Graphical User Interface for generating input files for and running molecular dynamic simulation.☆10Aug 27, 2024Updated last year
- Plugin for folding sequences directly in PyMOL☆27Aug 5, 2025Updated 7 months ago
- The DSSP building software☆50Aug 7, 2023Updated 2 years ago
- DyNoPy☆11Sep 5, 2024Updated last year
- Detect and characterize binding pockets from molecular simulations.☆15Jul 3, 2025Updated 8 months ago
- ☆14Feb 28, 2022Updated 4 years ago
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆15Feb 26, 2026Updated last week
- ☆11Oct 18, 2019Updated 6 years ago
- ☆32Sep 23, 2023Updated 2 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Oct 17, 2023Updated 2 years ago
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 3 years ago
- Advanced tutorials for WESTPA 2.0☆15Feb 27, 2026Updated last week
- neuropeptide prediction☆13Sep 2, 2022Updated 3 years ago
- Correlation-based feature selection of Molecular Dynamics simulations☆29Nov 25, 2025Updated 3 months ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆19Feb 23, 2026Updated last week
- ☆90Feb 14, 2024Updated 2 years ago
- ☆18Oct 30, 2023Updated 2 years ago
- ☆15Apr 7, 2022Updated 3 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- Instructions for Building Software on Various Platforms☆17May 12, 2025Updated 9 months ago
- Molecular mechanics systems and simulation data☆19Jun 3, 2024Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Repository of the data for PLUMED Masterclass 22.3☆14Jul 10, 2024Updated last year
- ☆32Feb 24, 2022Updated 4 years ago
- ☆58Mar 14, 2023Updated 2 years ago
- ☆34Dec 15, 2023Updated 2 years ago
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated last year
- Deep learning based prediction of temperature dependent enzyme turnover rates☆17Nov 24, 2024Updated last year
- Computationally Restoring the Potency of a Clinical Antibody☆19Mar 1, 2024Updated 2 years ago