Serializing molecule 3D structures
☆14Nov 27, 2024Updated last year
Alternatives and similar repositories for Mol-StrucTok
Users that are interested in Mol-StrucTok are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆29Oct 7, 2024Updated last year
- ☆44Apr 10, 2025Updated last year
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆21Dec 24, 2024Updated last year
- ☆15Feb 27, 2026Updated 5 months ago
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆32Jun 12, 2026Updated last month
- 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.
- ☆23Feb 3, 2026Updated 5 months ago
- Protein function prediction using protein structures and deep graph neural networks.☆22Jan 24, 2025Updated last year
- ☆23Mar 8, 2024Updated 2 years ago
- ☆12Apr 6, 2024Updated 2 years ago
- ☆17Jun 24, 2024Updated 2 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- A geometric deep learning method for refining and assessing protein complex structures.☆16Oct 22, 2022Updated 3 years ago
- [ICLR24] Better Neural PDE Solvers Through Data-Free Mesh Movers☆17Mar 20, 2024Updated 2 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.
- A package containing neural network architectures based on Variational Autoencoders (VAE) and Restricted Boltzmann Machines (RBM) for lea…☆12Dec 23, 2021Updated 4 years ago
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 3 years ago
- [ICML 2025] GitHub repository for LDMol, a latent text-to-molecule diffusion model.☆25Jun 24, 2025Updated last year
- ☆17Jun 3, 2024Updated 2 years ago
- LLM for Drug Editing, ICLR 2024☆161May 28, 2024Updated 2 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Mar 18, 2024Updated 2 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆49Oct 28, 2023Updated 2 years ago
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- ☆18May 16, 2026Updated 2 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.
- DynamicGT: a dynamic-aware geometric transformer model to predict protein binding interfaces in flexible and disordered regions☆16Jun 18, 2026Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆43Nov 22, 2021Updated 4 years ago
- CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions (KDD'25 research track accepted)☆17Aug 6, 2025Updated 11 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆144Jul 16, 2025Updated last year
- ☆16Nov 4, 2024Updated last year
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- Token-Mol 1.0：tokenized drug design with large language model☆64Jun 1, 2026Updated last month
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆42Oct 8, 2024Updated 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.
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- ☆20Jun 11, 2026Updated last month
- ☆24Nov 6, 2024Updated last year
- 🧬 Fusion of protein sequence and structural information, using denoising pre-training network for zero-shot protein engineering (eLife 2…☆97Jul 20, 2026Updated last week
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated last week
- ☆54Apr 17, 2026Updated 3 months ago
- Python re-implementation of szabo.f☆10Jul 30, 2015Updated 10 years ago