☆48Oct 17, 2023Updated 2 years ago
Alternatives and similar repositories for MPG
Users that are interested in MPG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆21Feb 22, 2024Updated 2 years ago
- ☆12Jun 19, 2021Updated 4 years ago
- A deep learning solvation model☆13Aug 24, 2021Updated 4 years ago
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- ☆14Jun 16, 2020Updated 5 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.
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Sep 28, 2021Updated 4 years ago
- The code for SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network.☆11Dec 27, 2021Updated 4 years ago
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆78Jul 25, 2024Updated last year
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Oct 16, 2022Updated 3 years ago
- ☆13May 21, 2024Updated last year
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆18Jun 1, 2024Updated last year
- MGA☆44Jan 15, 2021Updated 5 years ago
- Shape-based alignment of molecules using 3D point-based representation☆23Apr 8, 2026Updated last month
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆59Jun 29, 2023Updated 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.
- ☆44Aug 28, 2022Updated 3 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- A python package for computer-aid drug design.☆43Nov 21, 2025Updated 5 months ago
- research the 2019-nCov and design the inhibitors with AI☆14Jun 6, 2022Updated 3 years ago
- ☆12Nov 11, 2019Updated 6 years ago
- ☆38Oct 8, 2021Updated 4 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- ☆34Nov 24, 2020Updated 5 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.
- Active learning☆28Dec 17, 2020Updated 5 years ago
- Drug-target interaction prediction using deepWalk node embedding algorithm on drugBank☆11Nov 8, 2020Updated 5 years ago
- This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Tar…☆12Jul 21, 2022Updated 3 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Sep 1, 2025Updated 8 months ago
- ☆77Sep 19, 2022Updated 3 years ago
- ☆12Oct 21, 2018Updated 7 years ago
- ☆13Feb 24, 2021Updated 5 years ago
- ☆70Mar 13, 2023Updated 3 years ago
- Predicting drug-target interaction using multi-label learning with community detection method (DTI-MLCD)☆13May 12, 2020Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆31Jul 5, 2022Updated 3 years ago
- Implementation of GCNH, a GNN for heterophilous graphs described in the paper "GCNH: A Simple Method For Representation Learning On Heter…☆12Apr 27, 2023Updated 3 years ago
- This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional …☆166Nov 28, 2020Updated 5 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Jan 14, 2023Updated 3 years ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 years ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆20Sep 28, 2024Updated last year
- ☆59Aug 23, 2024Updated last year