RelationRx / pyrelational
pyrelational is a python active learning library for rapidly implementing active learning pipelines from data management, model development (and Bayesian approximation), to creating novel active learning strategies.
☆152Updated this week
Related projects ⓘ
Alternatives and complementary repositories for pyrelational
- Exploring the space of drug combinations to discover synergistic drugs using Active Learning☆23Updated 3 months ago
- ☆123Updated last year
- SEML: Slurm Experiment Management Library☆170Updated 2 weeks ago
- Implementation of Neural Distance Embeddings for Biological Sequences (NeuroSEED) in PyTorch (NeurIPS 2021)☆71Updated last year
- Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)☆88Updated 2 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆93Updated last year
- The starter repository for submissions to the GeneDisco challenge for optimized experimental design in genetic perturbation experiments.☆24Updated 2 years ago
- Learning to Split for Automatic Bias Detection☆47Updated last year
- Graph Data Augmentation Library for PyTorch Geometric☆128Updated 2 years ago
- ☆32Updated last month
- An SKLearn-style toolbox for estimating and analyzing models, distributions, and functions with context-specific parameters.☆67Updated 2 weeks ago
- RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Ma…☆93Updated last year
- Protein structure datasets for machine learning.☆102Updated 4 months ago
- Discovering Interpretable Features in Protein Language Models via Sparse Autoencoders☆46Updated this week
- Contrastive neighbor embeddings☆52Updated 6 months ago
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆69Updated 3 months ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆203Updated 7 months ago
- ☆57Updated 7 months ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆36Updated last year
- A library for uncertainty quantification based on PyTorch☆119Updated 2 years ago
- TLDRs for ML in Drug Discovery papers☆71Updated last year
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆91Updated 2 months ago
- Codebase for Evaluating Attribution for Graph Neural Networks.☆74Updated 3 years ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆66Updated 6 months ago
- FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of pr…☆160Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆72Updated last year
- A Library for Gaussian Processes in Chemistry☆212Updated last month
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆77Updated 2 years ago
- Evaluation dataset for AI systems intended to benchmark capabilities foundational to scientific research in biology☆25Updated last month
- An active learning library for Pytorch based on Lightning-Fabric.☆79Updated 6 months ago