EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
☆36May 11, 2026Updated 3 weeks ago
Alternatives and similar repositories for EnzyHTP
Users that are interested in EnzyHTP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆23Mar 6, 2025Updated last year
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- Pretrained METL models with minimal dependencies☆16Sep 18, 2025Updated 8 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Mar 24, 2026Updated 2 months ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 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.
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- QM-based enzyme model generation and validation.☆18Updated this week
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆20Aug 25, 2021Updated 4 years ago
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 2 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆142Nov 10, 2025Updated 6 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆53Updated this week
- A collection of tutorials for the python implementation of Dynamical Network Analysis☆15Aug 6, 2025Updated 10 months ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆30May 28, 2026Updated last week
- 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.
- ☆82Aug 26, 2025Updated 9 months ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Oct 18, 2019Updated 6 years ago
- Results and data from the pilot round of the Protein Engineering Tournament☆30Mar 25, 2025Updated last year
- RXN for biochemical reactions☆76Oct 18, 2022Updated 3 years ago
- Official repository of EnzymeFlow☆102Dec 7, 2024Updated last year
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆16Jan 20, 2022Updated 4 years ago
- ☆581Feb 6, 2025Updated last year
- Rifdock Library for Conformational Search☆174May 16, 2024Updated 2 years ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆27Apr 28, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Universal framework for physically based computational protein design☆37Aug 19, 2023Updated 2 years ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆255Mar 26, 2026Updated 2 months ago
- ☆69Apr 8, 2025Updated last year
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- The official code repository of "OmniESI: A unified framework for enzyme-substrate interaction prediction with progressive conditional de…☆30Aug 26, 2025Updated 9 months ago
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆38Jul 25, 2024Updated last year
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆48Jun 17, 2025Updated 11 months ago
- ☆27Feb 10, 2024Updated 2 years ago
- ☆24May 19, 2025Updated 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.
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆251Nov 5, 2025Updated 7 months ago
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- Machine learning prediction of enzyme optimum pH☆55Apr 29, 2025Updated last year
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆54Nov 4, 2025Updated 7 months ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Jun 15, 2019Updated 6 years ago
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆91Dec 3, 2025Updated 6 months ago