☆48Nov 9, 2023Updated 2 years ago
Alternatives and similar repositories for ImageMol
Users that are interested in ImageMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Feb 27, 2025Updated last year
- AttentionDTA: prediction of drug–target binding affinity using attention model.https://ieeexplore.ieee.org/abstract/document/8983125☆13Aug 29, 2020Updated 5 years ago
- The code for SCAGE.☆22Nov 30, 2025Updated 7 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆35Dec 1, 2022Updated 3 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.
- ☆17Apr 5, 2020Updated 6 years ago
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆133Jul 25, 2024Updated last year
- ☆13Nov 10, 2022Updated 3 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆18Mar 8, 2023Updated 3 years ago
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 4 years ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Sep 10, 2022Updated 3 years ago
- ☆71Mar 13, 2023Updated 3 years ago
- A multi-model framework for blood-brain barrier permeability discovery☆17Jun 6, 2022Updated 4 years ago
- 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.
- Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)☆15Oct 27, 2023Updated 2 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 years ago
- the codes for paper "IIFDTI: predicting drug target interaction through interactive and independent features based on attention mechanism…☆11Apr 7, 2022Updated 4 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Oct 11, 2021Updated 4 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆44Sep 25, 2023Updated 2 years ago
- ☆23Oct 6, 2022Updated 3 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆52Feb 22, 2022Updated 4 years ago
- ☆10Aug 20, 2023Updated 2 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.
- Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories☆13Dec 6, 2020Updated 5 years ago
- ☆12Feb 19, 2023Updated 3 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆27Oct 22, 2020Updated 5 years ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆138Mar 18, 2024Updated 2 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 4 years ago
- ☆10Feb 12, 2025Updated last year
- comparing drug classification methods☆21Feb 8, 2020Updated 6 years ago
- The repository contains the data and the codes for the manuscript "Relational graph convolutional networks for predicting blood-brain bar…☆15May 21, 2025Updated last year
- 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.
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆301Sep 22, 2023Updated 2 years ago
- A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.☆27Feb 8, 2024Updated 2 years ago
- GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL☆14Jul 28, 2022Updated 3 years ago
- Comparison of principal components analysis with diffusion maps on toy data sets and a molecular simulation trajectory☆17Feb 1, 2017Updated 9 years ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆540Jun 17, 2023Updated 3 years ago
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 4 years ago
- Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology☆222Jul 6, 2023Updated 2 years ago