Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks
☆11Jun 13, 2022Updated 3 years ago
Alternatives and similar repositories for MD_without_molecules
Users that are interested in MD_without_molecules are comparing it to the libraries listed below
Sorting:
- Conformational sampling for highly flexible proteins☆15Jan 31, 2025Updated last year
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆33Jun 9, 2024Updated last year
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 4 months ago
- Pretrained METL models with minimal dependencies☆17Sep 18, 2025Updated 6 months ago
- Modelling of Large Protein Complexes☆39Aug 8, 2025Updated 7 months ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆33Aug 10, 2023Updated 2 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- ☆24May 19, 2025Updated 10 months ago
- ☆15Jun 11, 2021Updated 4 years ago
- A package to create, visualize, and analysis PDB-derived pseudo-ensembles.☆10Jan 7, 2026Updated 2 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆75Mar 27, 2025Updated 11 months ago
- ☆15Apr 7, 2022Updated 3 years ago
- ☆11Aug 26, 2024Updated last year
- ☆20Oct 3, 2024Updated last year
- ☆17Oct 27, 2024Updated last year
- ☆80Feb 26, 2024Updated 2 years ago
- ☆61Apr 9, 2024Updated last year
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- ☆15Mar 28, 2025Updated 11 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Jan 21, 2026Updated 2 months ago
- DyNoPy☆11Sep 5, 2024Updated last year
- Conditioning diffusion models for scaffolding protein motifs. A repository for my master's dissertation.☆12Dec 10, 2024Updated last year
- Deep reinforcement learning for protein complex modeling☆11May 28, 2022Updated 3 years ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- Protein Sequence Evolutionary Information Language Model☆13Oct 5, 2023Updated 2 years ago
- ☆32Jun 30, 2024Updated last year
- [Neurips 2025] Official Implementation of ConfRover models☆22Feb 3, 2026Updated last month
- Implementations of the renormalization group-based diffusion model (RGDM).☆16Mar 10, 2025Updated last year
- ☆15Jun 3, 2025Updated 9 months ago
- ☆18Mar 13, 2024Updated 2 years ago
- ☆20Aug 25, 2025Updated 6 months ago
- Code for RL-DIF☆16Jun 24, 2025Updated 8 months ago
- A Deep Learning Framework for Allosteric Site Prediction☆15May 21, 2025Updated 10 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆15Sep 5, 2025Updated 6 months ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆78Sep 12, 2024Updated last year
- ☆36Mar 19, 2025Updated last year
- Colorblind-friendly, perceptually uniform palettes for pymol☆21Jan 25, 2021Updated 5 years ago