Inorganic Reaction Prediction
☆11Jul 25, 2024Updated 2 years ago
Alternatives and similar repositories for inorg-synth-graph
Users that are interested in inorg-synth-graph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 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.
- Predict materials properties using only the composition information!☆129Apr 23, 2023Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆40Nov 21, 2019Updated 6 years ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Jun 2, 2026Updated last month
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- A random forest☆53Feb 18, 2025Updated last year
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆131Jun 10, 2026Updated last month
- Graphic user interface (GUI) for the battery database.☆16Feb 10, 2023Updated 3 years ago
- SMARTS: 'regular expressions' for chemical structures☆24Jun 21, 2018Updated 8 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆26Nov 12, 2023Updated 2 years ago
- Tools for auto-generating the battery-materials database.☆52Sep 6, 2022Updated 3 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Jan 24, 2026Updated 6 months ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆37Mar 28, 2022Updated 4 years ago
- Generate isosurface from density data☆14May 21, 2026Updated 2 months ago
- ☆16Jan 1, 2020Updated 6 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- 嘉立创EDA专业版扩展：基于大模型的符号封装智能建库工具 EasyEDA Pro extension: A intelligent library building assistant by AI☆15Jun 16, 2026Updated last month
- Visualization for TRI materials network data☆17Jul 18, 2023Updated 3 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Agent-based sequential learning software for materials discovery☆63Feb 7, 2024Updated 2 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 4 years ago
- Materials Project Documentation☆13Jun 2, 2022Updated 4 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.
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Materials Design by Monte Carlo Tree Search☆35Dec 2, 2021Updated 4 years ago
- Python package to aid materials design and informatics☆139Updated this week
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- A Molecular cluster tools built on RDKit☆11Dec 22, 2016Updated 9 years ago
- React-Autosuggest for Plotly Dash with Elasticsearch integration.☆12Dec 3, 2022Updated 3 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago