POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"
☆10Oct 18, 2018Updated 8 years ago
Alternatives and similar repositories for pool
Users that are interested in pool are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MD simulation trajectory visualization tool☆10Dec 23, 2023Updated 2 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 3 months ago
- Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.☆80Mar 25, 2023Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- Tumor-Infiltrating CD8 Lymphocytes states prediction☆15Feb 7, 2024Updated 2 years ago
- 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.
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 7 years ago
- protein deimmunization with a discrete diffusion model☆14Oct 11, 2026Updated 3 weeks ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15May 24, 2018Updated 8 years ago
- code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"☆17Aug 1, 2022Updated 4 years ago
- Stochastic Gradient MCMC algorithms implemented in theano (and autograd)☆10Jan 24, 2017Updated 9 years ago
- NeurIPS 2019 Paper☆12Dec 9, 2019Updated 6 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 7 years ago
- Overview of published generative models that produce molecules☆15Jan 16, 2020Updated 6 years ago
- ☆30Mar 2, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 8 years ago
- Code reimplementation of some papers published in SAIL-Lab☆13Sep 10, 2022Updated 4 years ago
- Monitor Library Genesis and Sci-Hub's torrent health☆16Aug 10, 2026Updated 2 months 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 4 years ago
- Repository for experiments with TensorFlow☆11Nov 25, 2015Updated 10 years ago
- ☆38Oct 14, 2024Updated 2 years ago
- A web app for exploratory data analysis of high-throughput screens (HTS)☆17Sep 19, 2018Updated 8 years ago
- Giraffe_View is designed to help assess and visualize the accuracy of long-read sequencing datasets.☆13Sep 3, 2024Updated 2 years ago
- Coarse-grained simulations of biomolecular complexes☆13Aug 2, 2023Updated 3 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.
- RosettaDesign using PyRosetta☆33Aug 22, 2019Updated 7 years ago
- ☆14Oct 9, 2024Updated 2 years ago
- A framework for Bayesian optimization of composite functions.☆15Dec 8, 2022Updated 3 years ago
- Protobuff and gRPC specifications for the MinKNOW LIMS Interface☆13Apr 20, 2021Updated 5 years ago
- Code described in Harvey et al. 2026 (DOI: https://doi.org/10.1038/s41467-026-72093-5).☆11Oct 14, 2026Updated 3 weeks ago
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆29Sep 12, 2023Updated 3 years ago
- Code referenced in the manuscript 'The 16S rRNA gene for species and strain-level microbiome analysis'☆12Sep 26, 2019Updated 7 years ago
- Sage Robots A4 robot arm☆12Mar 2, 2022Updated 4 years ago
- QM-ATLAS is a python package that orchestrates QM calculations. Based on thin wrappers of external software, more complex modules are bui…☆15Oct 12, 2026Updated 3 weeks 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.
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 5 years ago
- Install using NLTK downloader: nltk.download()☆17Aug 25, 2020Updated 6 years ago
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆22Feb 14, 2021Updated 5 years ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆30Jun 8, 2024Updated 2 years ago
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated 3 weeks ago
- This is a repository for the geographically-weighted regression submodule of the Python Spatial Analysis Library☆12May 21, 2018Updated 8 years ago
- This project is designed to find the potential modifications in bacterial genomes.☆15Nov 6, 2024Updated 2 years ago