Modifying Large Language Models for Directed Chemical Space Exploration
☆22May 12, 2026Updated 4 months ago
Alternatives and similar repositories for SmileyLlama
Users that are interested in SmileyLlama are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆20May 25, 2026Updated 3 months ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 5 months ago
- A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.☆17Updated this week
- ☆20Mar 3, 2026Updated 6 months ago
- Structural optimization of drug molecules by generative deep learning.☆17Apr 9, 2026Updated 5 months ago
- 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.
- ☆30Aug 16, 2026Updated last month
- SMARTS: 'regular expressions' for chemical structures☆24Jun 21, 2018Updated 8 years ago
- VenomPred 2.0 API☆11Jul 7, 2026Updated 2 months ago
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Jun 16, 2026Updated 3 months ago
- ☆17Sep 4, 2023Updated 3 years ago
- A package for quantum-classical modeling.☆16Aug 5, 2026Updated last month
- CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions (KDD'25 research track accepted)☆17Aug 6, 2025Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆87Mar 18, 2026Updated 6 months ago
- ☆15Jul 5, 2022Updated 4 years 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.
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆44Feb 3, 2026Updated 7 months ago
- ☆34Mar 11, 2023Updated 3 years ago
- ☆89Jan 11, 2025Updated last year
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆14Apr 23, 2025Updated last year
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆17Mar 20, 2023Updated 3 years ago
- ☆17Sep 8, 2026Updated last week
- SE(3) Equivariant Flow Matching for Property-Guided Molecule Generation.☆63Jun 2, 2026Updated 3 months ago
- OpenFF NAGL☆22Updated this week
- 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.
- ☆17Dec 25, 2025Updated 8 months ago
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Jul 7, 2026Updated 2 months ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆34May 2, 2026Updated 4 months ago
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆37Sep 4, 2026Updated 2 weeks ago
- ☆28Aug 4, 2025Updated last year
- targeted undersampling strategy for DEL☆15Sep 22, 2025Updated 11 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆37May 28, 2024Updated 2 years ago
- QCLAB Matlab Toolbox☆15Apr 6, 2026Updated 5 months ago
- ☆28Jun 29, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆77Nov 7, 2025Updated 10 months ago
- Operating System☆10Jun 14, 2025Updated last year
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆46Apr 28, 2026Updated 4 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- ☆11Aug 5, 2020Updated 6 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 2 months ago