This is a deep learning model used to predict molecular energy
☆13May 30, 2019Updated 7 years ago
Alternatives and similar repositories for DTNN_7ib
Users that are interested in DTNN_7ib are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a machine-learning based protein-ligand scoring function.☆56Oct 16, 2020Updated 6 years ago
- ☆15Jun 7, 2022Updated 4 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- A domain specific language for creating scientific pipelines☆14Updated this week
- ☆25Jul 27, 2023Updated 3 years ago
- 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.
- ☆14Jun 25, 2022Updated 4 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 5 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- ☆12Jan 2, 2021Updated 5 years ago
- Study materials about "Deep Learning for Molecular Applications".☆15Aug 5, 2019Updated 7 years ago
- Transformer-based model for chemical reactions☆95Jan 14, 2026Updated 9 months ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 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.
- ☆14Dec 18, 2019Updated 6 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- R package implementing a simple method for CD8 T cell epitope prediction by MHC class I binding for HLA and other MHC-I molecules.☆15Sep 21, 2020Updated 6 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- DeltaVina scoring function☆43Apr 7, 2017Updated 9 years ago
- ☆19Sep 29, 2021Updated 5 years ago
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- ☆13Apr 18, 2022Updated 4 years ago
- ☆12Jun 28, 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.
- Generate molecular fingerprints using RDKit☆31Jul 27, 2023Updated 3 years ago
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- A deep learning framework for predicting chemical synthesis☆25Aug 12, 2024Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆103Nov 28, 2020Updated 5 years ago
- ☆10Oct 18, 2024Updated 2 years ago
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Sep 10, 2022Updated 4 years ago
- QM-based enzyme model generation and validation.☆22Oct 26, 2026Updated last week
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆18Feb 20, 2024Updated 2 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Mar 26, 2020Updated 6 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆28Oct 5, 2026Updated 3 weeks ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 5 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 11 months ago
- ☆13Sep 29, 2023Updated 3 years ago