Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)
☆20Sep 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:
- Official Code Repository for the paper "Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes" (ICML 2024).☆16Jul 21, 2024Updated last year
- Official Code Repository for the paper "Graph Generation with Diffusion Mixture" (ICML 2024).☆37May 20, 2024Updated last year
- Tools to create and search a Python-based database of crystallization conditions and sequences pulled from the PDB☆13Jan 8, 2021Updated 5 years ago
- 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
- 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.
- A library to perform targeted free energy perturbation with normalizing flows.☆11Sep 1, 2025Updated 8 months ago
- ☆43Jul 26, 2024Updated last year
- An environment for testing tensorflow models.☆14Oct 29, 2017Updated 8 years ago
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆16Jul 6, 2025Updated 9 months ago
- ☆10Mar 11, 2024Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆30Sep 30, 2025Updated 7 months ago
- [ICML 2023] Official code for "DevFormer: A Symmetric Transformer for Context-Aware Device Placement"☆21Dec 7, 2024Updated last year
- "Scalable and Order-robust Continual Learning with Additive Parameter Decomposition", ICLR 2020☆23May 25, 2022Updated 3 years ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated last year
- 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.
- About Code release for "FlashBias: Fast Computation of Attention with Bias" (NeurIPS 2025), https://arxiv.org/abs/2505.12044☆28Nov 17, 2025Updated 5 months ago
- ☆36Mar 19, 2025Updated last year
- ☆13Sep 13, 2023Updated 2 years ago
- Neuro-Symbolic-Causal AI - Project Chimera | 🌌 An open research project exploring formal verification of AI agent decisions, combining s…☆50Feb 20, 2026Updated 2 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆65Jul 29, 2025Updated 9 months ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆19May 5, 2025Updated 11 months ago
- ☆41Nov 14, 2022Updated 3 years ago
- ☆12Nov 25, 2018Updated 7 years ago
- Official implementation for "Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention" (NeurIPS2024 Spotlight)☆17Oct 10, 2024Updated last year
- 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.
- 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☆164Oct 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
- All-atom inverse protein folding through discrete flow matching (ICML2025)☆31Mar 22, 2026Updated last month
- Official Implementation of SEA: Sparse Linear Attention with Estimated Attention Mask (ICLR 2024)☆12Jun 20, 2025Updated 10 months ago
- ☆28Sep 9, 2025Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Official repository for the paper "Graph-based Forecasting with Missing Data through Spatiotemporal Downsampling" (ICML 2024)☆16Mar 3, 2025Updated last year
- ☆23Dec 17, 2025Updated 4 months ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆16May 19, 2025Updated 11 months ago
- [ICLR 2024 Spotlight] Code for the paper "Decision ConvFormer: Local Filtering in MetaFormer is Sufficient for Decision Making"☆12Apr 22, 2024Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆84Apr 7, 2026Updated 3 weeks ago
- HarmAug: Effective Data Augmentation for Knowledge Distillation of Safety Guard Models☆13Mar 6, 2025Updated last year
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆28Sep 3, 2024Updated last year