Large-scale ligand-based virtual screening for potential SARS-Cov-2 inhibitors using a deep neural network
☆53Jul 26, 2020Updated 6 years ago
Alternatives and similar repositories for sars-cov-inhibitors-chemai
Users that are interested in sars-cov-inhibitors-chemai are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Apr 11, 2023Updated 3 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆15Oct 2, 2024Updated last year
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors☆10Sep 16, 2020Updated 6 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆12Jul 30, 2019Updated 7 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"☆17Aug 1, 2022Updated 4 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆15Jul 27, 2024Updated 2 years ago
- SDLG is an efficient method to accurately estimate aleatoric semantic uncertainty in LLMs☆28Sep 2, 2026Updated 2 weeks ago
- R package specialized in HLA typing clustering and visualization based on specific similarity metrics☆14Nov 21, 2019Updated 6 years ago
- Know2BIO: A Comprehensive Dual-View Benchmark for Evolving Biomedical Knowledge Graphs☆17Feb 10, 2026Updated 7 months ago
- The implementation of Modof for Molecule Optimization☆33Sep 21, 2023Updated 3 years ago
- DeepRC: Immune repertoire classification with attention-based deep massive multiple instance learning☆131Sep 12, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Feb 21, 2021Updated 5 years ago
- gpu implementation mopac☆16Updated this week
- WPF UserControl realize virtualization ListView element supported changing, sorting and filtering☆13Nov 2, 2018Updated 7 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆159Jun 30, 2022Updated 4 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆12Aug 11, 2025Updated last year
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- ☆20Feb 5, 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.
- Tools for working with the S800 corpus☆12Sep 17, 2020Updated 6 years ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Python library for working with BioC files☆13Mar 28, 2018Updated 8 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆49Jun 21, 2023Updated 3 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Feb 5, 2020Updated 6 years ago
- Analysis on stop reasons☆10Jun 17, 2024Updated 2 years ago
- Molecule Validation and Standardization☆187Apr 16, 2020Updated 6 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 7 years ago
- 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
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to ge…☆11Jun 18, 2026Updated 3 months ago
- A longitudinal dataset for academic literature, including papers, metadata, and citation graphs, Also available on 🤗 HuggingFace and Kag…☆18Sep 6, 2025Updated last year
- ☆23Dec 4, 2024Updated last year
- Step wise instructions to integrate the power of BERT with Fastai☆18Jul 17, 2019Updated 7 years ago
- Alchemical mutation scoring map☆11May 19, 2024Updated 2 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- ☆35Jun 2, 2026Updated 3 months ago