E_G_M_C_T_S
☆15Nov 30, 2022Updated 3 years ago
Alternatives and similar repositories for EG-MCTS
Users that are interested in EG-MCTS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆32Apr 21, 2024Updated last year
- ☆15Jan 22, 2023Updated 3 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 4 years ago
- molecular point group symmetry lib☆17Dec 11, 2024Updated last year
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 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.
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆14Jan 26, 2022Updated 4 years ago
- ☆25May 29, 2025Updated 10 months ago
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated last year
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆166Jul 9, 2022Updated 3 years ago
- ☆22Jul 25, 2024Updated last year
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated last year
- Data and model repository for the ASKCOS application☆16Feb 24, 2022Updated 4 years ago
- 帮助你通过UE5访问本地部署的DeepSeek-r1,测试版本插件,功能完善中☆19Feb 7, 2025Updated last year
- ☆22Aug 1, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆26Apr 14, 2024Updated 2 years ago
- Reinforcement Learning based bioretrosynthesis tool☆58Apr 2, 2025Updated last year
- The Chemical Reaction Optimization (CRO) algorithm with dependent classes in python 3.☆11Apr 21, 2020Updated 5 years ago
- (In development) Microservices full-stack single-page web app built with Typescript, React, Redux, Styled Components (for CSS-in-JS), Pyt…☆11Apr 7, 2026Updated last week
- Converts CDX and CDXML from and to CML☆12Updated this week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆92Feb 9, 2026Updated 2 months ago
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆40Apr 10, 2026Updated last week
- ☆46Nov 20, 2025Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆46Jan 13, 2026Updated 3 months ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- 小微写诗示例☆11Nov 4, 2019Updated 6 years ago
- lincms的java Spring boot 实现的后台版本☆10Mar 6, 2019Updated 7 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆44May 3, 2021Updated 4 years ago
- Physics Informed Neural Network constrained to follow Gibbs Free Energy Equation☆19Jul 7, 2025Updated 9 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 5 months ago
- Newton–Cotes Graph Neural Networks: On the Time Evolution of Dynamic Systems☆11Oct 19, 2023Updated 2 years ago
- C++高性能分布式服务器框架☆13Mar 2, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆13Oct 9, 2024Updated last year
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Mar 12, 2026Updated last month
- Software package for computer aided synthesis planning☆259Nov 27, 2023Updated 2 years ago
- Code for reviewers☆12Oct 8, 2024Updated last year
- Predicting molecular structure from multimodal spectroscopic data☆21Mar 9, 2026Updated last month
- MCP Server Implementation on Kakao Developers API to connect an AI Agent☆15Jun 26, 2025Updated 9 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago