Library for modeling molecules and reactions in pytorch
☆17Oct 5, 2025Updated 4 months ago
Alternatives and similar repositories for chytorch
Users that are interested in chytorch are comparing it to the libraries listed below
Sorting:
- Yandex.Praktikum Data Engineering workshop materials☆12Feb 18, 2023Updated 3 years ago
- Example implementation of Zeebe workflows using pyzeebe.☆12Jun 1, 2021Updated 4 years ago
- Perf monitoring CLI tool for Apple Silicon☆10Jan 25, 2023Updated 3 years ago
- ☆15Jun 8, 2022Updated 3 years ago
- ☆15Jan 21, 2025Updated last year
- ☆13May 21, 2023Updated 2 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 4 years ago
- PyTorch implementation of Probabilistic Network Ensembles on toy problems☆23Feb 1, 2023Updated 3 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- Action sequence prediction for arbitrary chemical equations☆26Mar 29, 2021Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.☆42Updated this week
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆81Mar 26, 2022Updated 3 years ago
- ☆11Oct 1, 2025Updated 4 months ago
- Computer-aided synthesis planning☆46Feb 18, 2026Updated last week
- ☆13Sep 14, 2021Updated 4 years ago
- Use reinforcement learning to train a flappy bird which NEVER dies in Python.☆40Jan 22, 2020Updated 6 years ago
- Predicting Organic Reactivity with LocalTransform☆51Mar 28, 2025Updated 11 months ago
- Analytical Chemistry GUI Toolbox☆47Feb 20, 2026Updated last week
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 2 years ago
- ☆11Feb 9, 2024Updated 2 years ago
- ☆14Jan 3, 2024Updated 2 years ago
- A generic implementation of a Nested Monte Carlo Search for single player games☆11Jun 8, 2016Updated 9 years ago
- ☆13Apr 15, 2024Updated last year
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 6 years ago
- A minimalist deep research framework for any OpenAI API compatible LLMs.☆14Nov 3, 2025Updated 3 months ago
- Tutorial on deep generative models with experiments on MNIST☆11Nov 7, 2018Updated 7 years ago
- Implementation of AlphaZero in PyTorch.☆10Apr 19, 2019Updated 6 years ago
- Collect all media resources in one telegram bot☆11Aug 3, 2023Updated 2 years ago
- JAX Scalify: end-to-end scaled arithmetics☆18Oct 30, 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
- Transformer from scratch with einsum method☆11Jul 8, 2021Updated 4 years ago
- Apache Guacamole for Kubernetes☆13Jun 4, 2018Updated 7 years ago
- Java implementation of Paillier algorithm. This is one of the few known system that preserves additive homomorphic properties. JCA Pailli…☆11Jan 29, 2019Updated 7 years ago
- A real-time visual analysis software for depth tracking in noisy oil and gas environments.☆12Jan 13, 2026Updated last month