☆15Aug 29, 2025Updated last year
Alternatives and similar repositories for InversionGNN
Users that are interested in InversionGNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ParetoDrug☆12Sep 3, 2024Updated 2 years ago
- ☆16Sep 27, 2024Updated 2 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- [ICLR '25] A method for pruning nearest neighbor graphs using discrete graph curvature: https://arxiv.org/abs/2410.01149☆12Nov 17, 2024Updated last year
- Minimal implementation of graph attention student model architecture☆12Aug 15, 2026Updated 2 months ago
- 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.
- Graph variational encoders for drug engineering and potentiation☆32Jul 11, 2023Updated 3 years ago
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- ☆14Apr 10, 2024Updated 2 years ago
- ☆11Jun 16, 2024Updated 2 years ago
- [NeurIPS 25 Spotlight] Protein Design with Dynamic Protein Vocabulary☆23Nov 23, 2025Updated 11 months ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year
- ☆32Oct 29, 2023Updated 2 years ago
- Tokenizer for chemnical SMILES and SELFIES for use in transformers models.☆28Aug 22, 2025Updated last year
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆29Apr 25, 2026Updated 5 months ago
- ☆10Apr 4, 2024Updated 2 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Jul 17, 2023Updated 3 years ago
- ☆12Jan 28, 2024Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- ☆10May 22, 2024Updated 2 years ago
- Code & demo for the animation of still facial landmarks from an initial pose.☆15Jan 19, 2023Updated 3 years ago
- ☆15Oct 3, 2026Updated 2 weeks ago
- Demo code for prompting a generative cybernetic ninja using Claude code.☆47Jul 31, 2026Updated 2 months ago
- 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.
- ☆27Apr 2, 2024Updated 2 years ago
- complex network visualization tool☆14Sep 6, 2020Updated 6 years ago
- DL models to test added value of using generated complex data for affinity prediction☆11Mar 21, 2026Updated 7 months ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 4 years ago
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆20Dec 24, 2023Updated 2 years ago
- ☆63Aug 21, 2026Updated 2 months ago
- ☆13Mar 24, 2025Updated last year
- A GNN model for the prediction of pure component vapor pressures.☆16Feb 3, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆17Jan 10, 2024Updated 2 years ago
- ☆11Mar 3, 2025Updated last year
- Code for Online Graph Dictionary Learning☆18Mar 1, 2022Updated 4 years ago
- ☆18Dec 3, 2025Updated 10 months ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆13Dec 29, 2021Updated 4 years ago