☆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:
- ☆22Aug 1, 2023Updated 3 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆121Jan 27, 2026Updated 7 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☆18May 10, 2026Updated 4 months ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 3 months 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.
- ☆50Aug 8, 2022Updated 4 years ago
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 6 months ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆36Dec 27, 2024Updated last year
- 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.☆13Jun 15, 2019Updated 7 years ago
- ☆21Jan 6, 2025Updated last year
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆17Sep 16, 2026Updated last week
- Code for WWW'26 paper: Hi-GMAE: Hierarchical Graph Masked Autoencoders☆13Feb 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
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Sentiment Analysis System based on B4MSA and EvoDAG☆10Jan 25, 2026Updated 7 months ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Jan 3, 2023Updated 3 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- ParetoDrug☆12Sep 3, 2024Updated 2 years ago
- ET-Tox☆13Oct 4, 2024Updated last year
- ☆11Jul 15, 2021Updated 5 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆46Aug 28, 2025Updated last year
- Nonlinear and Stochastic Optimization, CBE & ACMS 60499 / 40499 at U. Notre Dame☆14Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A graph transformer-based approach for drug-target interaction prediction☆16Jan 31, 2024Updated 2 years ago
- 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 3 years ago
- PyTorch Autodiff DFT-D4 Implementation.☆25Sep 14, 2026Updated last week
- ☆32Sep 9, 2025Updated last year
- ☆70Nov 7, 2023Updated 2 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆37Sep 3, 2024Updated 2 years 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.
- ☆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☆18Jun 16, 2026Updated 3 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆45Aug 23, 2026Updated last month
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Apr 28, 2026Updated 4 months ago