Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)
☆19Sep 9, 2024Updated last year
Alternatives and similar repositories for GEAM
Users that are interested in GEAM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code Repository for GDSS using Graph Transformer☆17Nov 16, 2023Updated 2 years ago
- Official Code Repository for the paper "Graph Self-supervised Learning with Accurate Discrepancy Learning" (NeurIPS 2022)☆18Oct 10, 2022Updated 3 years ago
- FinanceRAG project by KAIST students. Advanced Retrieval-Augmented Generation (RAG) system designed for the financial domain.☆16Feb 11, 2025Updated last year
- Official Code Repository for Knowledge-Augmented Language Model Verification (EMNLP 2023)☆28Dec 22, 2023Updated 2 years ago
- Tools to create and search a Python-based database of crystallization conditions and sequences pulled from the PDB☆13Jan 8, 2021Updated 5 years 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.
- This repository contains a reaction condition selector.☆15Mar 19, 2025Updated last year
- Official Code Repository for the paper "Knowledge-Augmented Reasoning Distillation for Small Language Models in Knowledge-intensive Tasks…☆44Nov 24, 2024Updated last year
- A library to perform targeted free energy perturbation with normalizing flows.☆11Sep 1, 2025Updated 7 months ago
- ☆43Jul 26, 2024Updated last year
- An environment for testing tensorflow models.☆14Oct 29, 2017Updated 8 years ago
- ☆10Mar 11, 2024Updated 2 years ago
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated 10 months ago
- PyTorch implementation for "Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes" (ICML 2024).☆13Jul 21, 2024Updated last year
- "Scalable and Order-robust Continual Learning with Additive Parameter Decomposition", ICLR 2020☆23May 25, 2022Updated 3 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.
- ☆36Mar 19, 2025Updated last year
- Neuro-Symbolic-Causal AI - Project Chimera | 🌌 An open research project exploring formal verification of AI agent decisions, combining s…☆49Feb 20, 2026Updated last month
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆65Jul 29, 2025Updated 8 months ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆19May 5, 2025Updated 11 months ago
- All-atom inverse protein folding through discrete flow matching (ICML2025)☆24Mar 22, 2026Updated 3 weeks ago
- ☆41Nov 14, 2022Updated 3 years ago
- ☆12Nov 25, 2018Updated 7 years ago
- Aligned Diffusion Schroedinger Bridges (UAI 2023)☆14Sep 18, 2025Updated 6 months ago
- Official implementation for "Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention" (NeurIPS2024 Spotlight)☆17Oct 10, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Study materials about "Deep Learning for Molecular Applications".☆15Aug 5, 2019Updated 6 years ago
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆160Oct 1, 2024Updated last year
- python code for Multi-Coordinate Driving (MCD) method☆15Jul 16, 2024Updated last year
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆40May 19, 2024Updated last year
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆15Jun 9, 2024Updated last year
- Energy-guided binder design pipeline built on BindCraft☆17Jun 6, 2025Updated 10 months ago
- Official Implementation of SEA: Sparse Linear Attention with Estimated Attention Mask (ICLR 2024)☆12Jun 20, 2025Updated 9 months ago
- Official repository for the paper "Graph-based Forecasting with Missing Data through Spatiotemporal Downsampling" (ICML 2024)☆16Mar 3, 2025Updated last year
- ☆21Dec 17, 2025Updated 3 months ago
- 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.
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆16May 19, 2025Updated 10 months ago
- [ICLR 2024 Spotlight] Code for the paper "Decision ConvFormer: Local Filtering in MetaFormer is Sufficient for Decision Making"☆12Apr 22, 2024Updated last year
- pytorch implementation for "Mutual Information Neural Estimation"☆11Dec 13, 2019Updated 6 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆80Apr 7, 2026Updated last week
- Code for the paper "SizeShiftReg: a Regularization Method for Improving Size-Generalization in Graph Neural Networks"☆12Jan 17, 2023Updated 3 years ago
- ☆18Oct 12, 2022Updated 3 years ago
- HarmAug: Effective Data Augmentation for Knowledge Distillation of Safety Guard Models☆13Mar 6, 2025Updated last year