Transformer-based molecular generative model for antiviral drug design
☆17Nov 20, 2024Updated last year
Alternatives and similar repositories for TransAntivirus
Users that are interested in TransAntivirus are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Analyzing thin-layer chromatography (TLC) chromatograms☆18May 6, 2024Updated 2 years ago
- ☆11Jun 16, 2024Updated 2 years ago
- ☆13May 18, 2025Updated last year
- ☆14Jul 24, 2023Updated 2 years ago
- ☆11Apr 10, 2022Updated 4 years ago
- 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.
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated 4 months ago
- Course project for CS410. Drug Molecular Toxicity Prediction with GCN + Cloud ML Infra.☆10Apr 6, 2021Updated 5 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Feb 7, 2017Updated 9 years ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆32May 2, 2026Updated 2 months ago
- ☆13Apr 1, 2026Updated 3 months ago
- ☆16Jul 27, 2021Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆53May 24, 2024Updated 2 years ago
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- a universal machine learning model for predicting properties of Chemical Compounds☆11Sep 30, 2019Updated 6 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆23Aug 8, 2023Updated 2 years ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Collection of machine learning models for predicting toxicity of molecules☆12May 6, 2020Updated 6 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.
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Cloud-based Drug Binding Structure Prediction☆48Jul 13, 2026Updated last week
- ☆15May 29, 2024Updated 2 years ago
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- Evaluation of four models for electricity price forecast in the wholesale market in Mexico☆15Feb 3, 2024Updated 2 years ago
- Reinforcement learning based cyclic peptide binder design☆18Jul 22, 2025Updated last year
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 4 months 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.
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- A simple example of VAEs with KANs☆12May 17, 2024Updated 2 years ago
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Nov 8, 2021Updated 4 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- Molecular Descriptors with Actively Identified Subsets☆17Aug 25, 2025Updated 10 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆24Oct 31, 2025Updated 8 months ago
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago