yobibyte / ml-drug-discovery-tldrsLinks
TLDRs for ML in Drug Discovery papers
☆71Updated 2 years ago
Alternatives and similar repositories for ml-drug-discovery-tldrs
Users that are interested in ml-drug-discovery-tldrs are comparing it to the libraries listed below
Sorting:
- RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Ma…☆98Updated 2 years ago
- 🧬 ManyFold: An efficient and flexible library for training and validating protein folding models☆82Updated 2 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆139Updated 3 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆74Updated 2 years ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Massively-Parallel Natural Extension of Reference Frame☆32Updated 2 years ago
- JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling☆80Updated 5 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆97Updated 2 years ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆40Updated 2 years ago
- A list of manuscripts/tools using diffusion on biological enttieis☆97Updated 2 years ago
- A Modular Architecture for Deep Learning Systems☆45Updated 5 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆53Updated last year
- Minimal AlphaFold☆55Updated last year
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆52Updated 7 months ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆75Updated 4 years ago
- Large-scale ligand-based virtual screening for potential SARS-Cov-2 inhibitors using a deep neural network☆52Updated 5 years ago
- ☆57Updated last year
- ☆36Updated 6 years ago
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆47Updated 7 months ago
- Code for the paper LaM-SLidE - Latent Space Modeling of Spatial Dynamical Systems via Linked Entities☆25Updated 5 months ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆20Updated 5 months ago
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Updated 2 years ago
- Reinforcement Learning for Molecular Design Guided by Quantum Mechanics☆126Updated 2 years ago
- ☆124Updated 2 years ago
- Open source code for AlphaFold to extract protein embeddings☆27Updated 4 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Updated 2 years ago
- Energy-based models for atomic-resolution protein conformations☆100Updated 3 years ago
- Fréchet ChemNet Distance: A quality measure for generative models for molecules☆85Updated last year
- A repo for transferable sampling of molecular systems☆27Updated last week