A novel template-free retrosynthesizer that can generate diverse sets of reactants for a desired product via discrete conditional variational autoencoders.
☆15Aug 7, 2022Updated 4 years ago
Alternatives and similar repositories for DD-RetroDCVAE
Users that are interested in DD-RetroDCVAE 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 code of paper Sample-Efficient Reinforcement Learning via Conservative Model-Based Actor-Critic. Zhihai Wang, Jie Wang*, Qi Zhou, Bin…☆21May 26, 2022Updated 4 years ago
- The code of paper *Learning Robust Policy against Disturbance in Transition Dynamics via State-Conservative Policy Optimization*.☆18Mar 26, 2022Updated 4 years ago
- This is the code for G2MILP, a deep learning-based mixed-integer linear programming (MILP) instance generator.☆37Oct 3, 2024Updated last year
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆62Jan 7, 2025Updated last year
- A collection on the recent reproduction papers and projects on DeepSeek-R1☆31Feb 27, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Must-read papers on Reinforcement Learning (RL)☆56Nov 9, 2020Updated 5 years ago
- This is the code for our ICLR 2025 paper, titled Computing Circuits Optimization via Model-Based Circuit Genetic Evolution.☆13May 27, 2025Updated last year
- The code of paper Learning Hierarchy-Aware Knowledge Graph Embeddings for Link Prediction. Zhanqiu Zhang, Jianyu Cai, Yongdong Zhang, Jie…☆255Apr 12, 2021Updated 5 years ago
- ☆21Oct 21, 2025Updated 9 months ago
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆37Sep 1, 2022Updated 3 years ago
- ☆24Jul 25, 2024Updated 2 years ago
- 针对最经典的表格型Q learning算法进行了复现，能够支持gym中大多数的离散动作和状态空间的环境，譬如CliffWalking-v0。☆10Jan 2, 2021Updated 5 years ago
- 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.
- Code for our paper: ACM-MILP: Adaptive Constraint Modification via Grouping and Selection for Hardness-Preserving MILP Instance Generatio…☆14Jan 3, 2025Updated last year
- The code of paper Topology-Aware Correlations Between Relations for Inductive Link Prediction in Knowledge Graphs. Jiajun Chen, Huarui He…☆45May 11, 2022Updated 4 years ago
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- ☆13May 21, 2023Updated 3 years ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 3 months ago
- The code of paper Learning Cut Selection for Mixed-Integer Linear Programming via Hierarchical Sequence Model. Zhihai Wang, Xijun Li,…☆66May 12, 2023Updated 3 years ago
- The official code repo and data hub of top_nsigma sampling strategy for LLMs.☆26Feb 11, 2025Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆143Dec 10, 2022Updated 3 years ago
- The code of paper Rethinking Graph Convolutional Networks in Knowledge Graph Completion. Zhanqiu Zhang, Jie Wang, Jieping Ye, Feng Wu. WW…☆63Mar 29, 2022Updated 4 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.
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- Library for modeling molecules and reactions in pytorch☆17Jul 5, 2026Updated last month
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆172Jul 9, 2022Updated 4 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- Inductive relation prediction by subgraph reasoning, ICML'20☆272Jul 25, 2024Updated 2 years ago
- DuoDecoding: Hardware-aware Heterogeneous Speculative Decoding with Dynamic Multi-Sequence Drafting☆19Mar 4, 2025Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆91Aug 5, 2024Updated 2 years ago
- a general information propagation algorithm for graph learning☆13Jun 15, 2021Updated 5 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆47Aug 3, 2021Updated 5 years ago
- 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.
- ☆10Sep 5, 2024Updated last year
- ☆14Nov 26, 2022Updated 3 years ago
- Automatically exported from code.google.com/p/knitml☆13Aug 6, 2015Updated 11 years ago
- ☆13Oct 9, 2024Updated last year
- ICLR 2023: Learning to Extrapolate: A Transductive Approach☆11Aug 15, 2023Updated 2 years ago
- Learn Algebra and Learning from Data by Gilbert Strang☆10Jun 1, 2019Updated 7 years ago
- Everything you need to extend Raycast.☆20Feb 25, 2025Updated last year