Guided Diffusion Model for Molecular Inverse Design
☆20Nov 15, 2023Updated 2 years ago
Alternatives and similar repositories for GaUDI
Users that are interested in GaUDI 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 for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Jun 24, 2025Updated 9 months ago
- ☆21Dec 22, 2024Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆51Sep 14, 2023Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆28May 6, 2025Updated 11 months ago
- ☆20Feb 16, 2024Updated 2 years 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.
- ☆31Nov 15, 2022Updated 3 years ago
- Diffusion model for transition state prediction☆46Nov 30, 2023Updated 2 years ago
- ☆13Dec 12, 2023Updated 2 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆107Jun 3, 2025Updated 10 months ago
- ☆558Jul 10, 2022Updated 3 years ago
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆13Nov 15, 2022Updated 3 years ago
- Deep learning AI for generating new molecules that bond to the COVID-19.☆12Sep 17, 2020Updated 5 years ago
- ☆26Sep 3, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆14Feb 27, 2024Updated 2 years ago
- A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.☆51May 7, 2025Updated 11 months ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆37Nov 14, 2024Updated last year
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆13Jul 18, 2025Updated 8 months ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆19Jul 16, 2025Updated 8 months ago
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated 2 years ago
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆14Aug 29, 2024Updated last year
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆15Dec 18, 2025Updated 3 months ago
- ☆15Feb 21, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- PcDGAN: A Continuous Conditional Diverse Generative Adversarial Network For Inverse Design☆30Feb 11, 2021Updated 5 years ago
- do the performance test of ABACUS☆21Updated this week
- ☆15Dec 26, 2024Updated last year
- Molecular graph deep sets learning for mixture property modeling.☆32Jan 28, 2025Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆65Jul 29, 2025Updated 8 months ago
- ☆59Aug 20, 2021Updated 4 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- ☆20Mar 24, 2025Updated last year
- An official pytorch implementation of EACL2024 short paper "Flow Matching for Conditional Text Generation in a Few Sampling Steps"☆33Jul 17, 2025Updated 8 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Geometric Latent Diffusion Models for 3D Molecule Generation☆275Jun 9, 2023Updated 2 years ago
- "Editing Motion Graphics Video via Motion Vectorization and Transformation." SIGGRAPH Asia 2023.☆13Jan 24, 2024Updated 2 years ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆69Mar 5, 2026Updated last month
- ☆16Jul 6, 2023Updated 2 years ago
- Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics☆17Aug 14, 2024Updated last year
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Mar 7, 2023Updated 3 years ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆19Jan 18, 2025Updated last year