☆55Mar 5, 2025Updated last year
Alternatives and similar repositories for LLM4Drug
Users that are interested in LLM4Drug are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Mar 30, 2024Updated 2 years ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆55Jul 21, 2025Updated 8 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- ☆25Jan 30, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆28Dec 2, 2025Updated 4 months ago
- NeurIPS 2023 paper: De novo Drug Design using Reinforcement Learning with Multiple GPT Agents☆40Mar 27, 2024Updated 2 years ago
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- A generative model for molecular generation via multi-step chemical reactions☆14Jul 24, 2024Updated last year
- ☆22May 24, 2024Updated last year
- A universal structure-directed lead optimization☆74Jan 30, 2026Updated 2 months ago
- PoseX: A Molecular Docking Benchmark☆73Mar 23, 2026Updated 3 weeks ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Jul 17, 2023Updated 2 years ago
- [ICML 2025] Code for SUICA: Learning Super-high Dimensional Sparse Implicit Neural Representations for Spatial Transcriptomics.☆20Nov 22, 2025Updated 4 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- [BIB 2022] The official repository of our paper "Molormer: A Lightweight Self-Attention-Based Method Focused on Spatial Structure of Mole…☆12Oct 6, 2024Updated last year
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- ProteinGPT: Multimodal LLM for Protein Property Prediction and Structure Understanding☆34Apr 12, 2025Updated last year
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Oct 11, 2017Updated 8 years ago
- [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design☆17Jul 16, 2025Updated 9 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆130Apr 9, 2026Updated last week
- Latent Diffusion Model for DNA Sequence Generation☆35Oct 30, 2024Updated last year
- Algorithm Design and Analysis Notes for Grad☆14Mar 7, 2023Updated 3 years ago
- ☆23Feb 3, 2026Updated 2 months 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.
- A simple Andriod App for news browsing.☆14Sep 9, 2019Updated 6 years ago
- ☆23Mar 8, 2024Updated 2 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- DynamiSpectra: Decode molecular motion with precision and power☆21Sep 16, 2025Updated 7 months ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- ☆10Oct 2, 2022Updated 3 years ago
- ☆32Aug 1, 2025Updated 8 months ago
- ☆19Feb 20, 2025Updated last year
- The Open Source Code For ICML 2023 Paper "Finding the Missing-half: Graph Complementary Learning for Homophily-prone and Heterophily-pron…☆15Jun 15, 2023Updated 2 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.
- ParetoDrug☆10Sep 3, 2024Updated last year
- Automated Discovery of Interactions and Dynamics for Large Networked Dynamical Systems☆16Jun 15, 2021Updated 4 years ago
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- The open source code for ICDM2022 paper "Unifying Graph Contrastive Learning with Flexible Contextual Scopes"☆21Oct 3, 2022Updated 3 years ago
- ☆13Dec 29, 2021Updated 4 years ago
- ☆15Sep 27, 2024Updated last year
- Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…☆12Dec 29, 2023Updated 2 years ago