code and source data for de novo design of Kemp elimination paper
☆26Sep 18, 2025Updated last year
Alternatives and similar repositories for denovoKemp
Users that are interested in denovoKemp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆37Feb 4, 2026Updated 7 months ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- 🧪 Optimized protocol for m6A-SAC-seq☆13Jun 16, 2025Updated last year
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆97Jul 31, 2026Updated last month
- ✂️ Trim sequencing adapters from NGS data automatically☆14Sep 8, 2026Updated last week
- 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.
- DyNoPy☆11Sep 5, 2024Updated 2 years ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 10 months ago
- The codebase for EnzyGen2☆30Apr 20, 2026Updated 4 months ago
- ☆86Mar 23, 2026Updated 5 months ago
- Official repository of GENzyme☆66Nov 29, 2024Updated last year
- The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodiverge…☆16Jan 23, 2026Updated 7 months ago
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆32Jul 27, 2026Updated last month
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆268Nov 5, 2025Updated 10 months ago
- Official repository of EnzymeFlow☆102Dec 7, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Rosetta Funclib☆25May 9, 2020Updated 6 years ago
- ☆43Jun 12, 2025Updated last year
- A repository containing the build steps for the ccpbiosim workshop on QM/MM☆70Updated this week
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆49Oct 28, 2023Updated 2 years ago
- Supernova's MM-PBSA binding free energy calculation tool.☆14Updated this week
- Active Learning-Assisted Directed Evolution for Protein Engineering☆86Oct 24, 2025Updated 10 months ago
- SSAlign☆47Updated this week
- ☆24Aug 6, 2026Updated last month
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆51Nov 4, 2025Updated 10 months 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.
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆17Nov 2, 2024Updated last year
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 2 months ago
- Official GitHub repository for the manuscript entitled "Computational Design of Metallohydrolases" by Kim, Woodbury, & Ahern et al. publi…☆29Sep 10, 2026Updated last week
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆26Oct 18, 2019Updated 6 years ago
- ☆52Jun 15, 2026Updated 3 months ago
- Code for deep learning guided design of dynamic proteins☆35Jul 16, 2024Updated 2 years ago
- ☆13Sep 29, 2023Updated 2 years ago
- Scripts and data to run AbDesign as described in Tools for protein science 2021☆13Nov 4, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Code for running PottsMPNN to generate sequences and predict energies☆31Aug 4, 2026Updated last month
- Fast indexing and search of discontinuous motifs in protein structures☆216Jul 10, 2026Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Aug 5, 2026Updated last month
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆43Apr 27, 2026Updated 4 months ago
- Kuhlman Lab Installation of AlphaFold3☆42Mar 26, 2026Updated 5 months ago
- ☆73Apr 8, 2025Updated last year
- Homomer symmetry prediction from protein sequence☆46Mar 13, 2025Updated last year