ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
☆33Apr 25, 2025Updated last year
Alternatives and similar repositories for 3DMolFormer
Users that are interested in 3DMolFormer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆42Mar 26, 2025Updated last year
- ☆20Mar 3, 2026Updated 6 months ago
- ☆83Feb 17, 2026Updated 7 months ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆52Sep 2, 2026Updated 2 weeks ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆22Jan 4, 2025Updated last year
- ☆14Oct 9, 2024Updated last year
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆17Mar 17, 2025Updated last year
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 7 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆166Jan 26, 2026Updated 7 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆94Oct 6, 2025Updated 11 months ago
- ☆11May 25, 2026Updated 3 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆99Dec 7, 2025Updated 9 months ago
- PoseX: A Molecular Docking Benchmark☆85Mar 23, 2026Updated 5 months ago
- ☆30Aug 16, 2026Updated last month
- ☆54Apr 23, 2026Updated 4 months ago
- [ICLR 2025] Official Implementation of ParetoFlow: Guided Flows in Multi-Objective Optimization🧬🧬🧬☆29Mar 3, 2025Updated last year
- Token-Mol 1.0：tokenized drug design with large language model☆67Jun 1, 2026Updated 3 months ago
- A GFlowNet with a chemical synthesis action space.☆135Jan 31, 2025Updated last year
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆90Aug 1, 2024Updated 2 years ago
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- 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.
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆18Apr 16, 2025Updated last year
- ☆18May 16, 2026Updated 4 months ago
- ☆17Mar 31, 2026Updated 5 months ago
- ☆26Mar 11, 2022Updated 4 years ago
- PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/artic…☆40Jan 26, 2026Updated 7 months ago
- ☆47Jul 13, 2025Updated last year
- [JCIM 2026] Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling☆32Aug 20, 2026Updated last month
- ☆22Apr 20, 2025Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆79Mar 27, 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.
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆16Apr 3, 2026Updated 5 months ago
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆84May 27, 2026Updated 3 months ago
- Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling☆32Jun 3, 2026Updated 3 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆25Jul 20, 2026Updated 2 months ago
- Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆40Apr 6, 2026Updated 5 months ago
- ☆23Jul 6, 2026Updated 2 months ago