PaccMann / fdsaLinks
A fully differentiable set autoencoder
☆17Updated last year
Alternatives and similar repositories for fdsa
Users that are interested in fdsa are comparing it to the libraries listed below
Sorting:
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆37Updated last year
- Exploring the space of drug combinations to discover synergistic drugs using Active Learning☆24Updated 9 months ago
- The code for "Learning Molecular Representation in a Cell"☆35Updated 3 months ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Updated last year
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- ☆38Updated 7 months ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Updated last year
- Epistatic Net is an algorithm which allows for spectral regularization of deep neural networks to predict biological fitness functions (e…☆18Updated 3 years ago
- pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/☆28Updated 8 months ago
- Official implementation of Joint Multidimensional Scaling☆22Updated last year
- Deep learning datasets for RNA 3D and 2.5D structures.☆37Updated last week
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆31Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆38Updated 10 months ago
- Comparing graph representations for molecular features prediction☆24Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆47Updated 3 years ago
- Supervised Training of Conditional Monge Maps☆18Updated last year
- Implementation of the Paper "Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning" by Robin Winter, Fran…☆42Updated 2 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Implementation of Neural Distance Embeddings for Biological Sequences (NeuroSEED) in PyTorch (NeurIPS 2021)☆73Updated last year
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆40Updated 4 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆53Updated last year
- Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6☆32Updated 3 years ago
- ☆11Updated 4 years ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆29Updated last year
- ☆9Updated 3 years ago
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆36Updated last year
- A Modular Architecture for Deep Learning Systems☆41Updated 2 weeks ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆28Updated 4 years ago