☆17Oct 1, 2025Updated 11 months ago
Alternatives and similar repositories for quarc
Users that are interested in quarc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆30May 7, 2026Updated 4 months ago
- SMARTS sanitization☆34Mar 2, 2026Updated 6 months ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆25Aug 4, 2023Updated 3 years ago
- ☆22Mar 10, 2026Updated 6 months ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated 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.
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- ☆16Apr 16, 2025Updated last year
- ☆16Sep 30, 2024Updated last year
- RetroCast: A Unified Format for Multistep Retrosynthesis☆28Updated this week
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- ☆51Dec 2, 2025Updated 9 months ago
- ☆54Aug 7, 2026Updated last month
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 7 months ago
- ☆67May 25, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Toolkit for large scale ADMET modelling☆30Aug 31, 2026Updated 2 weeks ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- ☆12May 12, 2025Updated last year
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆119Sep 18, 2023Updated 3 years ago
- Modern Hopfield Network (MHN) for template relevance prediction☆50Sep 4, 2023Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2☆12Aug 28, 2023Updated 3 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆127Jul 14, 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.
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆13Jun 15, 2019Updated 7 years ago
- ☆22Feb 16, 2024Updated 2 years ago
- A semi-automated force field converter for GROMACS. Enables users to easily convert a system between two all-atom force fields. Requires …☆18Aug 1, 2026Updated last month
- ☆17Mar 31, 2026Updated 5 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆96Mar 31, 2026Updated 5 months ago
- ☆10Dec 17, 2020Updated 5 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆14Nov 15, 2022Updated 3 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- 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.
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- ☆89Jan 11, 2025Updated last year
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 5 months ago
- Package for Retrosynthetic Planning☆210Aug 20, 2026Updated 3 weeks ago
- ☆50May 13, 2026Updated 4 months ago
- NMT based SMILES to IUPAC Translator☆20Jul 16, 2025Updated last year
- A generative model for molecular generation via multi-step chemical reactions☆14Jul 24, 2024Updated 2 years ago