A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synthetic accessibility of de-novo designed drugs.
☆10Dec 11, 2022Updated 3 years ago
Alternatives and similar repositories for Rxitect
Users that are interested in Rxitect are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- Interactive demos describing the main concepts behind GFlowNets☆10Nov 9, 2023Updated 2 years ago
- Raaghu Themes - React, are themes created for micro frontend design system for modern web apps, which is an open source, Bootstrap enable…☆54Mar 7, 2025Updated last year
- ☆22Jan 25, 2023Updated 3 years ago
- Open-source Python client for deploying machine learning models and obtaining predictions via the Jaqpot API.☆20Sep 11, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 7 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 3 months ago
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 3 years ago
- An introduction to machine learning for chemical property prediction☆22Dec 28, 2018Updated 7 years ago
- InfraLinker is an open source and modern data center infrastructure assets management solution designed to make managing and tracking you…☆11Oct 22, 2025Updated 7 months ago
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆19Jun 7, 2021Updated 4 years ago
- This project is a reimplementation of the models introduced in the following papers: "Multiobjective de novo drug design with recurrent n…☆21Jul 9, 2022Updated 3 years ago
- [ICML 2021] Learning Task Informed Abstractions -- a representation learning approach for model-based RL in complex visual domains☆18Jul 20, 2021Updated 4 years ago
- Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).☆18Jun 13, 2019Updated 6 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.
- Yupiik Fusion is a modern, high-performance web framework built on top of GraalVM. The framework is designed to provide a streamlined and…☆15May 14, 2026Updated last week
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Sparsify transformers with cross-layer transcoders☆23Nov 14, 2025Updated 6 months ago
- A modern Q&A platform built with Next.js, featuring role-based access control (RBAC) using Clerk. This full-stack app demonstrates enterp…☆11Mar 13, 2025Updated last year
- Pavanam is a functional and eloquent graceful Tamil typeface that has its origins in the desire to create a modern feel for the Tamil tex…☆10May 25, 2016Updated 10 years ago
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 4 years ago
- These are module outlines for the youtube series called 'Introduction to Modern Brain Computer Interface Design' by Christian A. Kothe☆12Nov 9, 2015Updated 10 years ago
- Next.js GraphQL Quickstart is a modern, full-stack web application template designed to help you get started quickly with Next.js, GraphQ…☆10Nov 15, 2025Updated 6 months ago
- This is a set of C libraries designed to provide all of the nice-to-have features of more modern and full-featured languages, but targete…☆13Mar 9, 2024Updated 2 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.
- An Empirical Study of Invariant Risk Minimization☆27Jul 6, 2020Updated 5 years ago
- "This project is a responsive duplication of the Monogram website, built with HTML and CSS using CSS Grid for layout. The goal is to prac…☆10Jun 12, 2025Updated 11 months ago
- 使用DDQN算法控制单个路口的红绿灯☆15Mar 25, 2022Updated 4 years ago
- A package for uncertainty estimation with PyTorch☆12Aug 26, 2021Updated 4 years ago
- A basic Revit add-in that displays a TaskDialog, done the e-verse way.☆12Dec 20, 2024Updated last year
- This course covers the engineering and design of IT infrastructure, focusing on cloud-scale distributed systems and modern DevOps practic…☆10Feb 24, 2020Updated 6 years ago
- Emergent property inference.☆11Jul 6, 2023Updated 2 years ago
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆83Mar 24, 2023Updated 3 years ago
- Cyclopenten is a demo application to try modern Android development using Compose, Hilt, Coroutines, Flow, Jetpack and Material Design ba…☆14Apr 6, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- RTPA (Ready Tailwind Project Assistant) is a command-line tool designed to simplify the creation of new web projects with Tailwind CSS al…☆18Feb 2, 2026Updated 3 months ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 4 years ago
- A modern react admin panel built with React 18, Shadcn UI, Ant-Design, Vite, and TypeScript. It's fast!☆13Updated this week
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆97Aug 25, 2021Updated 4 years ago
- Ganges is a modern, dynamically typed, interpreted language with Sanskrit-inspired syntax. Built in Go, Ganges is designed to be fun, exp…☆15May 17, 2025Updated last year
- Pomozen is a modern, open-source Pomodoro timer app designed to boost productivity and focus. It applies the Pomodoro Technique, structur…☆38May 3, 2026Updated 3 weeks ago
- RentalWheels: A modern Android car rental app built with Kotlin and Firebase. Features include interactive map view, real-time car avail…☆14Nov 13, 2025Updated 6 months ago