E_G_M_C_T_S
☆16Nov 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)☆33Apr 21, 2024Updated 2 years ago
- ☆16Jan 22, 2023Updated 3 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- ☆14Apr 9, 2024Updated 2 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆25Sep 3, 2026Updated last month
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆176Jul 9, 2022Updated 4 years ago
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- ☆16Jun 28, 2024Updated 2 years ago
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated 2 years ago
- Data and model repository for the ASKCOS application☆16Feb 24, 2022Updated 4 years ago
- ☆22Aug 1, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- 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
- Kincore-Standalone2 - Python3 code for calculating the conformational state of typical protein kinases☆18Sep 18, 2023Updated 3 years ago
- Probing the limitations of multimodal language models for chemistry and materials research☆25Feb 1, 2026Updated 8 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆24Jul 25, 2024Updated 2 years ago
- ☆28Apr 14, 2024Updated 2 years ago
- The Chemical Reaction Optimization (CRO) algorithm with dependent classes in python 3.☆11Apr 21, 2020Updated 6 years ago
- Converts CDX and CDXML from and to CML☆12Apr 14, 2026Updated 6 months ago
- (In development) Microservices full-stack single-page web app built with Typescript, React, Redux, Styled Components (for CSS-in-JS), Pyt…☆11Oct 7, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆41Aug 13, 2026Updated 2 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated last month
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆46Jun 21, 2026Updated 3 months 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
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 3 years ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 11 months ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆46May 3, 2021Updated 5 years ago
- C++高性能分布式服务器框架☆13Mar 2, 2020Updated 6 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆14Oct 9, 2024Updated 2 years ago
- a simple program to convert image(jpg,png,bmp) to svg☆16Aug 30, 2016Updated 10 years ago
- Physics Informed Neural Network constrained to follow Gibbs Free Energy Equation☆20Jul 7, 2025Updated last year
- 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
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Software package for computer aided synthesis planning☆277Nov 27, 2023Updated 2 years ago
- Code for reviewers☆12Oct 8, 2024Updated 2 years ago