insilicomedicine / GENTRLLinks
Generative Tensorial Reinforcement Learning (GENTRL) model
☆630Updated last year
Alternatives and similar repositories for GENTRL
Users that are interested in GENTRL are comparing it to the libraries listed below
Sorting:
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆948Updated last year
- Deep Reinforcement Learning for de-novo Drug Design☆367Updated 4 years ago
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆541Updated 2 years ago
- Recurrent Geometric Networks for end-to-end differentiable learning of protein structure☆325Updated 6 years ago
- OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research☆734Updated 2 years ago
- Standardized data set for machine learning of protein structure☆906Updated 5 years ago
- ProSPr: Protein Structure Prediction☆420Updated 3 years ago
- Open Drug Discovery Toolkit☆459Updated 3 years ago
- Benchmarks for generative chemistry☆492Updated last year
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,123Updated last year
- An implementation of the DeepMind's AlphaFold based on PyTorch for research☆401Updated 5 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Updated 4 years ago
- Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."☆305Updated 8 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆721Updated last year
- Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019☆262Updated 4 years ago
- UniRep model, usage, and examples.☆359Updated 3 years ago
- Example code from the book "Deep Learning for the Life Sciences"☆391Updated 4 years ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆729Updated 3 years ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆284Updated 3 years ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆485Updated last year
- Get protein embeddings from protein sequences☆504Updated 2 years ago
- The Databases for Drug Discovery (DDD)☆145Updated 7 years ago
- A deep learning framework for molecular docking☆834Updated last month
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,198Updated 6 months ago
- ☆365Updated 8 months ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆121Updated 4 years ago
- A PyTorch framework for prediction of tertiary protein structure☆191Updated 4 years ago
- ☆410Updated 3 years ago
- An all-atom protein structure dataset for machine learning.☆358Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆823Updated 8 months ago