code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"
☆17Aug 1, 2022Updated 4 years ago
Alternatives and similar repositories for publication_fingerprint
Users that are interested in publication_fingerprint are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14May 9, 2024Updated 2 years ago
- POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"☆10Oct 18, 2018Updated 7 years ago
- Tumor-Infiltrating CD8 Lymphocytes states prediction☆14Feb 7, 2024Updated 2 years ago
- ☆10Dec 11, 2021Updated 4 years ago
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆14Oct 4, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆11Apr 10, 2022Updated 4 years ago
- Scholarly API tutorials using Python and R.☆15Aug 12, 2026Updated 2 weeks ago
- 文档聚集地☆10Sep 10, 2019Updated 6 years ago
- ☆15Jan 21, 2025Updated last year
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- ☆14Apr 12, 2026Updated 4 months ago
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 5 years ago
- A crystal structure finder written in PyQt5 and Python3☆15Aug 6, 2026Updated 3 weeks ago
- pre-training BERT with molecular data☆51Oct 13, 2021Updated 4 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.
- Julia's HPC command for automatic feature/model selection using all-subset-regression approaches☆18Feb 11, 2025Updated last year
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 3 years ago
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- Communicative Subgraph Representation Learning for Multi-Relational Inductive Drug-Gene Interaction Prediction☆11Feb 21, 2023Updated 3 years ago
- ET-Tox☆13Oct 4, 2024Updated last year
- ☆10Apr 20, 2022Updated 4 years ago
- ☆51Nov 1, 2020Updated 5 years ago
- ☆12Nov 8, 2021Updated 4 years ago
- Binder repo for chemometrics exercises☆12Mar 23, 2026Updated 5 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.
- Machine Learning using marginalized graph kernel for chemical molecules.☆13Mar 15, 2024Updated 2 years ago
- ☆11Oct 13, 2022Updated 3 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- [RECOMB 2023] Official implementation of "Pisces: A combo-wise contrastive learning approach to synergistic drug combination prediction".☆14Nov 21, 2023Updated 2 years ago
- GripNet: Graph Information Propagation on Supergraph for Heterogeneous Graphs (PatternRecognit, 2023)☆16Mar 8, 2023Updated 3 years ago
- Knowledge Graph Completion with Adaptive Sparse Transfer Matrix☆11Apr 9, 2017Updated 9 years ago
- This repository contains several image-to-image translation models, whcih were tested for RGB to NIR image generation. The models are Pi…☆15Mar 20, 2025Updated last year
- Graph-based generative model☆26Jan 6, 2026Updated 7 months ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Soil Health Data Cube for Europe☆15Jun 17, 2026Updated 2 months ago
- ☆15Jan 16, 2024Updated 2 years ago
- Jupyter Notebook Tutorials for Machine Learning in Chemistry (MLChem)☆18Jan 25, 2026Updated 7 months ago
- This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of in…☆14Jul 12, 2023Updated 3 years ago
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆20Dec 24, 2023Updated 2 years ago
- 📈Implementing the ADAM optimizer from the ground up with PyTorch and comparing its performance on six 3-D objective functions (each prog …☆23Jul 2, 2022Updated 4 years ago
- Pytorch implementation for NeurIPS-23:"GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels"☆19Mar 21, 2024Updated 2 years ago