dengjianyuan / Survey_AI_Drug_Discovery
☆318Updated last year
Alternatives and similar repositories for Survey_AI_Drug_Discovery
Users that are interested in Survey_AI_Drug_Discovery are comparing it to the libraries listed below
Sorting:
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆206Updated 2 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆219Updated last year
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆189Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆506Updated 2 months ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆445Updated 6 months ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆334Updated 2 years ago
- ☆351Updated last year
- A Euclidean diffusion model for structure-based drug design.☆415Updated 2 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆232Updated 2 years ago
- Benchmarks for generative chemistry☆447Updated last year
- Awesome papers related to generative molecular modeling and design.☆324Updated 4 months ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆240Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆302Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆236Updated 2 weeks ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆234Updated 2 years ago
- ☆374Updated 3 years ago
- ☆244Updated last month
- An all-atom protein structure dataset for machine learning.☆350Updated last year
- ATOM3D: tasks on molecules in three dimensions☆307Updated 2 years ago
- Graph neural networks for molecular design.☆370Updated 2 years ago
- ☆200Updated 8 months ago
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆197Updated 2 years ago
- ☆182Updated 2 years ago
- List of Molecular and Material design using Generative AI and Deep Learning☆793Updated last week
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆252Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆478Updated last month
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆288Updated last year
- Descriptor computation(chemistry) and (optional) storage for machine learning☆256Updated 6 months ago
- Molecular Processing Made Easy.☆492Updated 11 months ago
- ☆150Updated last year