☆35Jul 9, 2025Updated last year
Alternatives and similar repositories for DeepDTAGen
Users that are interested in DeepDTAGen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆35Jun 18, 2025Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆57Jul 21, 2025Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆41Oct 20, 2022Updated 3 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- ☆11Sep 23, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A collection of AWESOME things about LLM-Centric-Molecular-Discovery.☆26May 20, 2025Updated last year
- ☆23Jun 29, 2025Updated last year
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 4 years ago
- ☆15Sep 5, 2025Updated 10 months ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- Code for GP-MoLFormer + pair-tuning☆17Sep 18, 2025Updated 10 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆32Sep 30, 2025Updated 9 months ago
- ☆10Jan 10, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆29May 13, 2026Updated 2 months ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆303Sep 22, 2023Updated 2 years ago
- Source code of paper: "MCANet: Shared-weight-based MultiheadCrossAttention network for drug-target interaction prediction"☆17Apr 10, 2023Updated 3 years ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- ☆27Jun 29, 2025Updated last year
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- ☆17Apr 28, 2020Updated 6 years ago
- ☆52Nov 1, 2020Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Sep 15, 2023Updated 2 years ago
- ☆24Jul 27, 2021Updated 4 years ago
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆20Mar 4, 2025Updated last year
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆19Aug 8, 2023Updated 2 years ago
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆150Feb 19, 2023Updated 3 years ago
- ☆22May 9, 2025Updated last year
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆306Apr 13, 2021Updated 5 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆46Dec 8, 2023Updated 2 years ago
- ☆29Apr 21, 2026Updated 3 months 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.
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- TaskNya是一个通用的任务监控与通知工具，适用于通用任务的监控和通知。☆13May 12, 2026Updated 2 months ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- The MolE pre-training framework to learn general molecular representations from unlabeled structures☆12May 26, 2025Updated last year
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆77May 13, 2021Updated 5 years ago
- Harmonizing pathway databases using Biological Expression Language (BEL)☆20Jul 1, 2024Updated 2 years ago
- A novel molecular representation framework via meta structures☆18Nov 25, 2025Updated 8 months ago