The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodivergent Selectivity".
☆16Jan 23, 2026Updated 9 months ago
Alternatives and similar repositories for Rosetta-Enzyme-Design-Pipeline
Users that are interested in Rosetta-Enzyme-Design-Pipeline are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Nov 13, 2023Updated 2 years ago
- NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms☆17Sep 14, 2018Updated 8 years ago
- ☆85Jun 29, 2025Updated last year
- DyNoPy☆10Sep 5, 2024Updated 2 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Jun 15, 2019Updated 7 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆26Oct 18, 2019Updated 7 years ago
- Residue Interaction Network ResidUe Selector☆16Jul 21, 2026Updated 3 months ago
- design pipeline for protein, nucleic acid, and small molecule☆46Mar 5, 2026Updated 8 months ago
- code and source data for de novo design of Kemp elimination paper☆27Sep 18, 2025Updated last year
- Pipeline for Nanopore sequencing: demultiplexing, variant calling, and quality visualization with error handling.☆13May 10, 2026Updated 6 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆27Mar 6, 2025Updated last year
- De novo design of small molecule binding sites into proteins☆11Apr 14, 2021Updated 5 years ago
- Workflow for generate a database of proteins with quantum properties☆19Feb 25, 2026Updated 8 months ago
- Self-Consistent Neural Network for Protein Stability Prediction upon Mutations☆10Sep 22, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆25Aug 6, 2026Updated 3 months ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 3 years ago
- ☆73Apr 8, 2025Updated last year
- EvoMotif automates the discovery of evolutionarily conserved protein motifs by combining information theory, evolutionary substitution ma…☆12Dec 23, 2025Updated 10 months ago
- TUPÃ: Electric field analyses for molecular simulations☆28Jun 12, 2026Updated 5 months ago
- Some scoring functions for predicting the effects of mutations on protein sequences using ESM-2☆12Dec 10, 2023Updated 2 years ago
- ☆22Jul 14, 2023Updated 3 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆12Oct 2, 2025Updated last year
- code for TubroPETase paper☆10Jun 7, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆21Oct 31, 2024Updated 2 years ago
- Predicting the effect of mutations on protein stability using a simple orientational potential.☆21Jul 5, 2024Updated 2 years ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆119Apr 15, 2026Updated 6 months ago
- Supporting information for predicting and engineering post-translational modifcations using Rosetta☆10Feb 13, 2024Updated 2 years ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- ☆15Mar 28, 2025Updated last year
- Active Learning-Assisted Directed Evolution for Protein Engineering☆90Oct 24, 2025Updated last year
- TrDesign w/ Partial Hallucination support☆10Apr 29, 2022Updated 4 years ago
- ☆33Dec 12, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆14Aug 8, 2025Updated last year
- ☆19Oct 4, 2022Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆39Nov 4, 2026Updated last week
- ☆34Feb 5, 2025Updated last year
- Deciphering protein evolution and fitness landscapes with latent space models☆38Nov 2, 2021Updated 5 years ago
- ☆58Apr 15, 2026Updated 6 months ago
- The App Store for VMD extensions.☆15Jan 14, 2023Updated 3 years ago
Are these results useful?