code and source data for de novo design of Kemp elimination paper
☆24Sep 18, 2025Updated 6 months ago
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:
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Design data and process for the AdaptyvBio protein design competition☆10Dec 11, 2024Updated last year
- ☆13Sep 29, 2023Updated 2 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆11Oct 2, 2025Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated 3 weeks ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- Official repository of GENzyme☆63Nov 29, 2024Updated last year
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago
- ☆69Updated this week
- Files and utilities for protein-emoji☆27Nov 4, 2022Updated 3 years ago
- Graphormer Based Protein Sequence Design☆26Feb 2, 2024Updated 2 years ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆23Mar 6, 2025Updated last year
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ML toolset for creating TED: The Encyclopedia of Domains☆26May 29, 2025Updated 9 months ago
- How to get started with computational chemistry research. Directed to new people in our lab, may be useful in general.☆26Jun 4, 2018Updated 7 years ago
- protein structure generation with sparse all-atom denoising models☆60Updated this week
- Fold Conditioned protein design pipeline based on AF2Multimer Hallucination☆50Dec 2, 2025Updated 3 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆42Jun 11, 2025Updated 9 months ago
- ☆17Aug 20, 2024Updated last year
- ☆117Jan 3, 2026Updated 2 months ago
- Rotamer Interaction Field Python Libraries for Computational Protein Design☆13Feb 2, 2018Updated 8 years ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆137Nov 11, 2025Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Rapid generation of high-quality structure figures for publication with PyMOL-PUB☆88Oct 30, 2024Updated last year
- Machine learning prediction of enzyme optimum pH☆50Apr 29, 2025Updated 10 months ago
- Zero-shot prediction of mutation effects on protein function with multimodal deep representation learning☆71Aug 13, 2025Updated 7 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆232Nov 5, 2025Updated 4 months ago
- ☆18Feb 25, 2026Updated last month
- RAG-ESM is a retrieval-augmented framework that allows to condition pretrained ESM2 protein language models on homologous sequences☆27Aug 21, 2025Updated 7 months ago
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆85Dec 3, 2025Updated 3 months ago
- ☆41Jun 12, 2025Updated 9 months ago
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆42Oct 30, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆29Updated this week
- Efficient manipulation of protein structures in Python☆65Sep 27, 2025Updated 6 months ago
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Jul 25, 2023Updated 2 years ago
- Homomer symmetry prediction from protein sequence☆43Mar 13, 2025Updated last year
- Learning the language of protein-protein interactions☆139Jan 12, 2026Updated 2 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 4 months ago
- Active Learning-Assisted Directed Evolution for Protein Engineering☆81Oct 24, 2025Updated 5 months ago