Library for modeling molecules and reactions in pytorch
☆18Oct 5, 2025Updated 8 months ago
Alternatives and similar repositories for chytorch
Users that are interested in chytorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Library for processing molecules and reactions in python way☆52Jun 9, 2026Updated 2 weeks ago
- ☆15Jan 21, 2025Updated last year
- ☆13May 21, 2023Updated 3 years ago
- Yandex.Praktikum Data Engineering workshop materials☆12Feb 18, 2023Updated 3 years ago
- Computer-aided synthesis planning☆56Jun 18, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆15Jun 8, 2022Updated 4 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 5 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆186Sep 18, 2023Updated 2 years ago
- A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.☆46May 25, 2026Updated last month
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆125Jul 14, 2025Updated 11 months ago
- ☆11Oct 1, 2025Updated 8 months ago
- Collect all media resources in one telegram bot☆11Aug 3, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 6 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Example implementation of Zeebe workflows using pyzeebe.☆12Jun 1, 2021Updated 5 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- Implementation of reaction condition prediction with Parrot☆22Nov 16, 2023Updated 2 years ago
- ☆14Sep 14, 2021Updated 4 years ago
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 3 years ago
- De novo drug design with deep interactome learning☆21Mar 19, 2026Updated 3 months 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.
- websocket-benchmark☆11May 27, 2021Updated 5 years ago
- ☆23Jul 25, 2024Updated last year
- Modern Hopfield layer implementations in Julia☆16Jul 21, 2022Updated 3 years ago
- Implemented One Shot Face Recognition Using Siamese Neural Network using Pytorch on AT&T dataset☆13Jan 31, 2020Updated 6 years ago
- The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…☆12Feb 12, 2024Updated 2 years ago
- ☆11Aug 10, 2023Updated 2 years ago
- Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction☆10Mar 16, 2023Updated 3 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆80Mar 16, 2026Updated 3 months ago
- ☆13Apr 15, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- PyTorch implementation of Probabilistic Network Ensembles on toy problems☆23Feb 1, 2023Updated 3 years ago
- ☆14Jan 5, 2026Updated 5 months ago
- ☆12Oct 9, 2024Updated last year
- Graph generative pre-trained transformer☆22Jun 3, 2025Updated last year
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- We trained high performing open source models on image scans of tissue biopsies to predict endoscopic categories in inflammatory bowel di…☆17Mar 3, 2023Updated 3 years ago