rid
☆24Aug 15, 2021Updated 4 years ago
Alternatives and similar repositories for rid
Users that are interested in rid are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15May 29, 2024Updated last year
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Enhanced sampling methods for molecular dynamics simulations☆43Dec 16, 2022Updated 3 years ago
- Reinforced dynamics☆52Mar 31, 2025Updated 11 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 3 years ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 3 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated last year
- Convenience functions for VMD-TCL scripting☆14Jul 16, 2025Updated 8 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆32Jul 25, 2022Updated 3 years ago
- Open-source protein-based pharmacophore modeling software☆37Feb 15, 2025Updated last year
- ☆17Sep 14, 2022Updated 3 years ago
- Adding hydrogens to molecular models☆59Nov 24, 2025Updated 4 months ago
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆89Jul 15, 2025Updated 8 months ago
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 3 years ago
- How to analyze molecular dynamics data with PyEMMA☆84May 29, 2019Updated 6 years ago
- Flow-matching for coarse graining of miniproteins.☆19Nov 18, 2022Updated 3 years ago
- PharML is a framework for predicting compound affinity for protein structures. It utilizes a novel Molecular-Highway Graph Neural Network…☆13May 8, 2020Updated 5 years ago
- SARS-CoV-2 RBD antibody escape calculator☆12Nov 19, 2024Updated last year
- test☆14Nov 13, 2020Updated 5 years ago
- ☆20May 7, 2024Updated last year
- Nomalizing flows for orbita-free DFT☆11Sep 20, 2024Updated last year
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Feb 25, 2026Updated 3 weeks ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 5 years ago
- ☆42Oct 1, 2023Updated 2 years ago
- ☆27Oct 30, 2023Updated 2 years ago
- ☆12Jul 31, 2020Updated 5 years ago
- DISTEVAL: A web-server for evaluating protein inter-residue distances☆18Mar 7, 2022Updated 4 years ago
- A Python package for building nonparametric force fields from machine learning☆16Feb 12, 2020Updated 6 years ago
- ☆16May 11, 2016Updated 9 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆45Nov 25, 2025Updated 3 months ago
- Python library for advanced atomistic simulations☆23Sep 21, 2017Updated 8 years ago
- ☆14May 13, 2020Updated 5 years ago
- ☆16May 12, 2023Updated 2 years ago
- Tools for preparation and analysis of systems for molecular dynamics.☆31Dec 5, 2025Updated 3 months ago
- ☆37Jan 8, 2021Updated 5 years ago