DyNoPy
☆11Sep 5, 2024Updated last year
Alternatives and similar repositories for DyNoPy
Users that are interested in DyNoPy are comparing it to the libraries listed below
Sorting:
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- Active Learning-Assisted Directed Evolution for Protein Engineering☆80Oct 24, 2025Updated 4 months ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- ☆74Feb 13, 2026Updated 2 weeks ago
- ☆17Dec 23, 2024Updated last year
- [Neurips 2025] Official Implementation of ConfRover models☆20Feb 3, 2026Updated 3 weeks ago
- Combs repo associated with Lu et al 2024 Science paper☆14Sep 21, 2025Updated 5 months ago
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆19May 15, 2025Updated 9 months ago
- ☆13Sep 29, 2023Updated 2 years ago
- Conformational sampling for highly flexible proteins☆13Jan 31, 2025Updated last year
- Fold Conditioned protein design pipeline based on AF2Multimer Hallucination☆50Dec 2, 2025Updated 3 months ago
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆70Feb 23, 2026Updated last week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆61Jan 30, 2026Updated last month
- A collection of tutorials for the python implementation of Dynamical Network Analysis☆15Aug 6, 2025Updated 6 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆62May 21, 2025Updated 9 months ago
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆33Jun 9, 2024Updated last year
- ☆61Apr 9, 2024Updated last year
- ML-guided enzyme engineering☆75Jan 24, 2026Updated last month
- ☆19Jan 18, 2026Updated last month
- Resources for the BioML Challenge 2024: Bits to Binders☆18Aug 24, 2024Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- ☆20Oct 3, 2024Updated last year
- ☆15Jul 9, 2024Updated last year
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Sep 10, 2024Updated last year
- ☆110Feb 1, 2026Updated last month
- Generating and scoring novel enzyme sequences with a variety of models and metrics☆72Feb 21, 2026Updated last week
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 2 years ago
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆28Feb 22, 2026Updated last week
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆96Dec 10, 2025Updated 2 months ago
- ☆21May 24, 2024Updated last year
- Nano Prot GPT: NanoGPT on protein sequences☆21Mar 10, 2023Updated 2 years ago
- Integer programming based prediction of RNA secondary structures with pseudoknots☆21Nov 30, 2025Updated 3 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆47Nov 4, 2025Updated 3 months ago
- ProteinGPT: Multimodal LLM for Protein Property Prediction and Structure Understanding☆32Apr 12, 2025Updated 10 months ago
- ☆24May 19, 2025Updated 9 months ago
- Some scripts that I keep using over and over.☆21Jul 5, 2025Updated 7 months ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Nov 19, 2024Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆24Mar 2, 2024Updated 2 years ago