biolib / openprotein
A PyTorch framework for prediction of tertiary protein structure
☆177Updated 3 years ago
Related projects: ⓘ
- An all-atom protein structure dataset for machine learning.☆327Updated 6 months ago
- PyTorch library of layers acting on protein representations☆117Updated 2 months ago
- Recurrent Geometric Networks for end-to-end differentiable learning of protein structure☆327Updated 5 years ago
- Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019☆253Updated 3 years ago
- ☆191Updated 2 years ago
- A package to predict protein inter-residue geometries from sequence data☆205Updated 2 years ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆118Updated 3 years ago
- trRosetta for protein design☆171Updated 3 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆154Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆220Updated last year
- Note that current version does not include search of very large metagenome data. For some proteins, metagenome data is important. We will…☆100Updated 2 years ago
- Predicting protein structure through sequence modeling☆106Updated 4 years ago
- ATOM3D: tasks on molecules in three dimensions☆298Updated last year
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆310Updated 3 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆231Updated 11 months ago
- UniRep model, usage, and examples.☆334Updated 2 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆348Updated 2 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆197Updated 3 years ago
- Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows☆137Updated last month
- Attempt at reproduction of AlphaFold2☆88Updated 2 years ago
- Benchmarks for generative chemistry☆405Updated 7 months ago
- ☆126Updated 3 years ago
- Deep residual neural network for protein contact/distance prediction developed by Xu group☆77Updated 4 years ago
- Generative Models for Graph-Based Protein Design☆250Updated 3 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆185Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆136Updated 2 months ago
- Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."☆301Updated last year
- A generative latent variable model for biological sequence families.☆199Updated 2 years ago
- Protein function prediction using a variational autoencoder☆89Updated 6 years ago
- ☆191Updated last year