☆19May 15, 2023Updated 3 years ago
Alternatives and similar repositories for mudiff
Users that are interested in mudiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆28Jan 31, 2023Updated 3 years ago
- ☆14Nov 2, 2022Updated 3 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆116Sep 18, 2024Updated last year
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆52Jun 30, 2026Updated 3 weeks ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆276Jun 9, 2023Updated 3 years ago
- 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.
- This is for Meridian (Traditional Chinese Medicine conception) prediction by machining learning method.☆12Sep 30, 2019Updated 6 years ago
- Official implementation for paper: Sampling 3D Molecular Conformers with Diffusion Transformers (NeurIPS 2025)☆19Feb 3, 2026Updated 5 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆56Nov 11, 2023Updated 2 years ago
- This is the code for our paper: Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspaces (Leonard Papenmeier…☆22Jan 5, 2024Updated 2 years ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- Reward Propagation using Graph Convolutional Networks☆13Jun 19, 2021Updated 5 years ago
- ☆10Feb 21, 2022Updated 4 years ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆38Jul 17, 2026Updated last week
- 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.
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- TACO: TFBS-Aware Cis-Regulatory Element Optimization☆23Aug 1, 2025Updated 11 months ago
- ☆19Dec 10, 2024Updated last year
- Zero Shot Molecular Generation via Similarity Kernels☆29Aug 27, 2025Updated 10 months ago
- BiomeNED main code☆12Jul 25, 2019Updated 7 years ago
- 中医药术语识别，使用CNN-BILSTM-CRF模型对9000条训练数据和1000条测试数据进行处理，最终测试数据正确率为90+%。为方便使用，使用Tkinter对模型进行封装使用☆12Feb 21, 2020Updated 6 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆96Jul 23, 2024Updated 2 years ago
- ☆17Jun 23, 2023Updated 3 years ago
- ☆11Oct 25, 2021Updated 4 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.
- A modern agent-based modeling platform for mobility-on-demand simulations.☆14Mar 25, 2021Updated 5 years ago
- Benchmarking deep learning models generating molecules in 3D☆19Apr 12, 2025Updated last year
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 4 years ago
- Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight expe…☆16Mar 6, 2023Updated 3 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated 10 months ago
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated last year
- This study proposes a novel PG-MLIF framework, that employs deep learning, for integrating pathological images and genomic data. The code…☆11Jun 28, 2024Updated 2 years ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- 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.
- Molecular generation using diffusion models and autoregressive transformer models☆21Jan 7, 2026Updated 6 months ago
- 一个全流程AI科研辅助平台，通过API驱动的智能绘图、深度文献分析和自动化流程图生成，将前沿大型语言模型（LLM）无缝集成到科研工作流中。☆16Jul 15, 2025Updated last year
- Official implementation of NeurIPS'22 paper "Monte Carlo Tree Search based Variable Selection for High-Dimensional Bayesian Optimization"☆44Mar 6, 2023Updated 3 years ago
- ☆47Mar 22, 2024Updated 2 years ago
- ☆16Mar 11, 2024Updated 2 years ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆29Feb 16, 2026Updated 5 months ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year