bowang-lab / AGILELinks
AGILE Platform: A Deep Learning-Powered Approach to Accelerate LNP Development for mRNA Delivery
☆39Updated 3 weeks ago
Alternatives and similar repositories for AGILE
Users that are interested in AGILE are comparing it to the libraries listed below
Sorting:
- ☆39Updated last year
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆53Updated 3 months ago
- ☆70Updated last week
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- ☆48Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆42Updated 3 months ago
- ☆47Updated 4 years ago
- PocketDTA☆30Updated 7 months ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆64Updated 2 months ago
- ☆83Updated 6 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆91Updated 6 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆69Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆71Updated 7 months ago
- a multi-property optimization method.☆33Updated 5 months ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆31Updated 6 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆41Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated 2 months ago
- ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models☆47Updated 6 months ago
- ☆62Updated 2 years ago
- Graph Network for protein-protein interface☆120Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆66Updated last year
- Transformer Based Language Model for Peptide Property Prediction☆46Updated 10 months ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- ☆52Updated 10 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆123Updated last week
- ☆74Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆65Updated 3 months ago