sungsoo-ahn / genetic-expert-guided-learningLinks
☆34Updated 4 years ago
Alternatives and similar repositories for genetic-expert-guided-learning
Users that are interested in genetic-expert-guided-learning are comparing it to the libraries listed below
Sorting:
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆72Updated 2 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆51Updated last year
- Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6☆33Updated 3 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆96Updated last year
- ☆44Updated 2 years ago
- ☆32Updated 2 months ago
- Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"☆39Updated 7 months ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30Updated 4 years ago
- A new retrieval-based framework for controllable molecule generation.☆49Updated 2 years ago
- ☆34Updated last year
- ☆11Updated 5 years ago
- ☆12Updated 7 months ago
- Code for the paper LaM-SLidE - Latent Space Modeling of Spatial Dynamical Systems via Linked Entities☆25Updated last month
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆21Updated 4 years ago
- ☆29Updated 2 years ago
- Source code of MOLLEO☆45Updated last week
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Updated 2 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆31Updated last year
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆74Updated 4 years ago
- ☆21Updated last year
- A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SEL…☆11Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆59Updated 4 years ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆18Updated last month
- A Modular Architecture for Deep Learning Systems☆41Updated last month
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆40Updated last year
- Reinforcement Learning for Molecular Design Guided by Quantum Mechanics☆127Updated last year
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year