kotori-y / mpekView external linksLinks
MPEK is a universal tool for predicting enzyme turnover number (kcat) and Michaelis-Menten constant (Km) for all types of enzymes. BTW, an online prediction server is also provided.
☆25Aug 21, 2024Updated last year
Alternatives and similar repositories for mpek
Users that are interested in mpek are comparing it to the libraries listed below
Sorting:
- ☆19Sep 12, 2024Updated last year
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆46Nov 4, 2025Updated 3 months ago
- FuncFetch workflow scripts☆15Jun 9, 2025Updated 8 months ago
- ☆20Jun 20, 2022Updated 3 years ago
- Visualize structure data from Biotite with PyMOL☆26Mar 16, 2025Updated 11 months ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Jan 23, 2024Updated 2 years ago
- My computational biology course as it evolves in real time☆14Aug 31, 2021Updated 4 years ago
- ☆92Dec 30, 2025Updated last month
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- Metal Activity Heuristic of Metalloprotein and Enzymatic Sites (MAHOMES) - Predicts if a protein bound metal ion is enzymatic or non-enzy…☆11Apr 19, 2022Updated 3 years ago
- Using ESP32 and ESP-IDF to control a garage door. Also uses the inside hall sensor to determine the state of the door (open or close).☆10Jun 19, 2020Updated 5 years ago
- Predicts the solubility and usability for purification of proteins expressed in E. coli using protein language models☆43Dec 16, 2024Updated last year
- OPUS-Rota4: A Gradient-Based Protein Side-Chain Modeling Framework Assisted by Deep Learning-Based Predictors☆11Apr 14, 2022Updated 3 years ago
- ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI☆22Jul 28, 2025Updated 6 months ago
- Streamlit web application to deploy a machine learning binary classifier to predict the activity of antimicrobial peptides☆10Dec 13, 2022Updated 3 years ago
- Statistical Mechanics for Chemistry and Biology☆13Updated this week
- pyProCT is an open source cluster analysis software especially adapted for jobs related with structural proteomics. Its approach allows u…☆10Aug 24, 2017Updated 8 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 3 years ago
- Python package providing functionality and plotting for chemistry method comparison☆15Feb 28, 2024Updated last year
- Educational Notes on Molecular Modeling☆13Nov 19, 2020Updated 5 years ago
- ☆12Jan 27, 2023Updated 3 years ago
- Energy-guided binder design pipeline built on BindCraft☆16Jun 6, 2025Updated 8 months ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12May 7, 2025Updated 9 months ago
- A unified and modular interface to homology modelling software☆12Sep 27, 2023Updated 2 years ago
- PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference☆11May 29, 2024Updated last year
- Hands-on workshop showing good software development practices to create a Python package.☆42Jul 23, 2025Updated 6 months ago
- Code base for "Evaluation of Machine Learning-Assisted Directed Evolution Across Diverse Combinatorial Landscapes"☆15Jun 19, 2025Updated 7 months ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- Sequence-based protein solubility predictor☆11Apr 1, 2020Updated 5 years ago
- Trying to train LoRAs for ESM-2☆12Aug 6, 2023Updated 2 years ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- DeepSoluE☆14Sep 18, 2023Updated 2 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 3 years ago
- A script library for use with the Drafts app.☆11Oct 30, 2021Updated 4 years ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆98Aug 29, 2023Updated 2 years ago
- Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic mo…☆183Jul 4, 2023Updated 2 years ago
- Course materials for the IBioIC Introduction to Bioinformatics training course☆12Jun 4, 2017Updated 8 years ago