Implementation of the algorithm detailed in paper "Evolutionary design of molecules based on deep learning and a genetic algorithm"
☆24Dec 15, 2023Updated 2 years ago
Alternatives and similar repositories for evolutionary-design-molecules
Users that are interested in evolutionary-design-molecules are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 3 years ago
- Local Attention - Flax module for Jax☆22May 26, 2021Updated 5 years ago
- Data-driven design of context-specific regulatory elements☆10Jun 18, 2024Updated 2 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Implementation of Tranception, an attention network, paired with retrieval, that is SOTA for protein fitness prediction☆32Jun 19, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆290Dec 17, 2024Updated last year
- Implementation of a holodeck, written in Pytorch☆19Nov 1, 2023Updated 3 years ago
- ☆11Dec 2, 2022Updated 3 years ago
- Implementation of Cross Transformer for spatially-aware few-shot transfer, in Pytorch☆54Mar 30, 2021Updated 5 years ago
- Implementation of Diffusion Policy, Toyota Research's supposed breakthrough in leveraging DDPMs for learning policies for real-world Robo…☆136Jul 6, 2024Updated 2 years ago
- Deep learning to solve RNA design puzzles☆20Feb 4, 2025Updated last year
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 7 years ago
- A simple implementation of a deep linear Pytorch module☆21Oct 16, 2020Updated 6 years ago
- ☆14Jan 10, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…☆89Jul 25, 2022Updated 4 years ago
- Implementation of ETSformer, state of the art time-series Transformer, in Pytorch☆152Aug 26, 2023Updated 3 years ago
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆159Dec 27, 2022Updated 3 years ago
- Utilities for PyTorch distributed☆26Feb 27, 2025Updated last year
- Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax☆114Sep 8, 2021Updated 5 years ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆83Aug 27, 2021Updated 5 years ago
- Implementation of Hourglass Transformer, in Pytorch, from Google and OpenAI☆99Dec 31, 2021Updated 4 years ago
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆226Jun 2, 2024Updated 2 years ago
- 机器学习(Machine Learning)、深度学习(Deep Learning)、对抗神经网络(GAN),图神经网络(GNN),NLP,大数据相关的发展路书(roadmap), 并附海量源码(python,pytorch)带大家消化基本知识点,突破面试,完成从新手到合格…☆10Feb 25, 2020Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Implementation of a Light Recurrent Unit in Pytorch☆51Oct 9, 2026Updated 3 weeks ago
- The documentation for the Clustergrammer project☆10Oct 21, 2020Updated 6 years ago
- End-to-end formally verified solvers for the electrostatic Vlasov equation in 1x1v, 1x2v, 1x3v, 2x2v, 2x3v, and 3x3v (i.e. 2D to 6D) phas…☆15Jul 21, 2026Updated 3 months ago
- Implementation of "compositional attention" from MILA, a multi-head attention variant that is reframed as a two-step attention process wi…☆51May 10, 2022Updated 4 years ago
- ☆13Jul 16, 2024Updated 2 years ago
- Portable TLauncher Minecraft Launcher☆14Dec 29, 2023Updated 2 years ago
- [ICLR 2026 Oral] Neon: Negative Extrapolation From Self-Training Improves Image Generation☆29Oct 7, 2025Updated last year
- Implementation of Memory-Compressed Attention, from the paper "Generating Wikipedia By Summarizing Long Sequences"☆71Apr 10, 2023Updated 3 years ago
- Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering☆13Aug 22, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Rebasing graph networks paper☆12Oct 10, 2025Updated last year
- ☆11Jun 18, 2023Updated 3 years ago
- Exploring an idea where one forgets about efficiency and carries out attention across each edge of the nodes (tokens)☆56Mar 25, 2025Updated last year
- ☆11Feb 10, 2021Updated 5 years ago
- Perl tools for automating routine tasks encountered when running quantum chemistry computations.☆10Jan 12, 2021Updated 5 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆77Jun 8, 2021Updated 5 years ago
- A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms☆143Apr 20, 2022Updated 4 years ago