☆17May 25, 2025Updated last year
Alternatives and similar repositories for NAG2G
Users that are interested in NAG2G are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆118Jan 27, 2026Updated 6 months ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 6 years ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆19May 10, 2026Updated 3 months ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 2 months 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.
- ☆50Aug 8, 2022Updated 4 years ago
- ☆12Jul 28, 2022Updated 4 years ago
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 4 months ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 7 years ago
- ☆20Jan 6, 2025Updated last year
- ☆81May 21, 2024Updated 2 years ago
- Code for WWW'26 paper: Hi-GMAE: Hierarchical Graph Masked Autoencoders☆12Feb 8, 2025Updated last year
- A basic DNN tutorial in PyTorch, for persons without a background in Linux, Python, or remote servers☆10Apr 2, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Sentiment Analysis System based on B4MSA and EvoDAG☆10Jan 25, 2026Updated 6 months ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Jan 3, 2023Updated 3 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- ET-Tox☆13Oct 4, 2024Updated last year
- ☆11Jul 15, 2021Updated 5 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆46Aug 28, 2025Updated 11 months ago
- Nonlinear and Stochastic Optimization, CBE & ACMS 60499 / 40499 at U. Notre Dame☆14Mar 18, 2025Updated last year
- A graph transformer-based approach for drug-target interaction prediction☆16Jan 31, 2024Updated 2 years 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.
- machine learning guided antigenic evolution prediction☆12Jun 19, 2023Updated 3 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- ☆10Aug 20, 2023Updated 2 years ago
- PyTorch Autodiff DFT-D4 Implementation.☆25Updated this week
- ☆29Sep 9, 2025Updated 11 months ago
- ☆71Nov 7, 2023Updated 2 years ago
- ☆23Sep 14, 2023Updated 2 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆36Sep 3, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆19Dec 31, 2024Updated last year
- ☆20Apr 25, 2023Updated 3 years ago
- Analysis workflow for yield prediction and optimisation in bioreactors for cultivated meat production☆20Jul 1, 2024Updated 2 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- Amber MD agent tooling and MCP servers☆15Jun 16, 2026Updated last month
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆41Jul 2, 2026Updated last month
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Apr 28, 2026Updated 3 months ago