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:
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Local Attention - Flax module for Jax☆22May 26, 2021Updated 5 years ago
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 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
- 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
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 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
- Implementation of a holodeck, written in Pytorch☆19Nov 1, 2023Updated 2 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 7 years ago
- ☆14Jan 10, 2021Updated 5 years ago
- 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 Hourglass Transformer, in Pytorch, from Google and OpenAI☆100Dec 31, 2021Updated 4 years ago
- Utilities for PyTorch distributed☆26Feb 27, 2025Updated last year
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆159Dec 27, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 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
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆226Jun 2, 2024Updated 2 years ago
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆21Jun 19, 2025Updated last year
- Toy genetic algorithm in Pytorch☆58Apr 21, 2026Updated 4 months ago
- g2-MLP: State-of-the-Art Model for Node Classification on Graphs (PPI Dataset)☆10Nov 12, 2022Updated 3 years ago
- Implementation of Memory-Compressed Attention, from the paper "Generating Wikipedia By Summarizing Long Sequences"☆71Apr 10, 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
- The documentation for the Clustergrammer project☆10Oct 21, 2020Updated 5 years ago
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆76Jun 8, 2021Updated 5 years ago
- Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering☆13Aug 22, 2023Updated 3 years ago
- Implementation of Nyström Self-attention, from the paper Nyströmformer☆145Mar 24, 2025Updated last year
- ☆13Apr 16, 2022Updated 4 years ago
- ☆12Jul 11, 2022Updated 4 years ago
- alternative way to calculating self attention☆18May 25, 2024Updated 2 years ago
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆56Dec 27, 2022Updated 3 years ago
- ☆27Jul 30, 2025Updated last year
- Implementation of Uformer, Attention-based Unet, in Pytorch☆97Oct 26, 2021Updated 4 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.
- SCeptre is a python package that extends the functionalities of Scanpy to analyze multiplexed single-cell proteomics data.☆18Mar 18, 2024Updated 2 years ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 5 years ago
- Software for the 2015 Waterloo iGEM Team☆11Oct 19, 2015Updated 10 years ago
- A repository with exploration into using transformers to predict DNA ↔ transcription factor binding☆88Jun 2, 2022Updated 4 years ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆58Dec 2, 2020Updated 5 years ago
- Implementation of GateLoop Transformer in Pytorch and Jax☆93Jun 18, 2024Updated 2 years ago
- Code for AlphaFold Distillation for Protein Design☆28Sep 18, 2025Updated 11 months ago