jiaminho / COVID-19-Drug-DiscoveryView external linksLinks
COVID-19 Drug Design using Generative RNN-LSTM
☆14Sep 14, 2020Updated 5 years ago
Alternatives and similar repositories for COVID-19-Drug-Discovery
Users that are interested in COVID-19-Drug-Discovery are comparing it to the libraries listed below
Sorting:
- Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…☆14Jan 13, 2023Updated 3 years ago
- ☆18Apr 11, 2023Updated 2 years ago
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆10Apr 22, 2019Updated 6 years ago
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 5 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Feb 7, 2017Updated 9 years ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- Forkwell Coronavirus Hack: Drug Discovery☆12Feb 4, 2022Updated 4 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 2 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 4 years ago
- R package to BLAST peptide sequences against each other and identify the minimal overlap of aligning regions.☆16Aug 26, 2025Updated 5 months ago
- ☆12Nov 15, 2020Updated 5 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 6 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- VAE for generating valid SMILES molecules☆15Oct 1, 2021Updated 4 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated last year
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Sep 28, 2014Updated 11 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- R package implementing a simple method for CD8 T cell epitope prediction by MHC class I binding for HLA and other MHC-I molecules.☆15Sep 21, 2020Updated 5 years ago
- An MPI based parallel implementation of Autodock Vina☆17Apr 3, 2020Updated 5 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆17Dec 26, 2022Updated 3 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆77Jun 20, 2024Updated last year
- Web application for protein-ligand binding sites analysis and visualization☆16Jan 9, 2023Updated 3 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 4 months ago
- ☆19Jun 10, 2024Updated last year
- ☆22Jan 5, 2025Updated last year
- A bioinformatics best-practice analysis pipeline for epitope prediction and annotation☆51Feb 10, 2026Updated last week
- NRPSpredictor2 is a program to predict the specificity of bacterial and fungal adenylation domains.☆11Oct 7, 2019Updated 6 years ago
- An introduction to machine learning for chemical property prediction☆21Dec 28, 2018Updated 7 years ago
- Python package and command line tool for epitope prediction☆52Aug 2, 2024Updated last year
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆28May 4, 2020Updated 5 years ago
- DIABLO - an integrative multi-group, multi-dataset classification method☆26Feb 26, 2019Updated 6 years ago
- Next-generation sequencing analysis pipelines & scrips☆10Nov 25, 2020Updated 5 years ago
- Derivation of structural alerts from bioactivity data sets☆31Mar 6, 2016Updated 9 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Nov 6, 2025Updated 3 months ago
- Compilation of chemoinformatics and machine learning techniques☆62Jul 20, 2025Updated 6 months ago
- iFeatureOmega is a comprehensive platform for generating, analyzing and visualizing more than 170 representations for biological sequence…☆32May 23, 2022Updated 3 years ago