Chemprop model incorporating the Arrhenius equation at the output to add physics to predictions
☆12Aug 15, 2023Updated 3 years ago
Alternatives and similar repositories for ChemArr
Users that are interested in ChemArr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.☆28Jul 29, 2024Updated 2 years ago
- Codes and data for active learning for next-generation battery electrolyte optimization☆16Dec 12, 2025Updated 10 months ago
- Semi-Supervised Anomaly Detection and Supervised Regression Approaches for Poisson's Ratio Prediction☆10May 7, 2025Updated last year
- ☆17Apr 30, 2024Updated 2 years ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated 2 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.
- A physics-informed deep learning architecture for inferring bubble dynamics☆16May 18, 2023Updated 3 years ago
- A Python interface for implementation of crystal structure pre-relaxation and prediction using machine-learning inter-atomic potentials.☆11May 20, 2024Updated 2 years ago
- MRLReID:Unconstrained Cross-resolution Person Re-identification with Multi-task Resolution Learning☆13Aug 1, 2023Updated 3 years ago
- Reproducible Deep Q-Network (DQN) training and evaluation for CartPole-v1 with PyTorch, Gymnasium, tests, and CLI workflows.☆11Aug 11, 2026Updated 2 months ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Physics Informed Neural Network constrained to follow Gibbs Free Energy Equation☆20Jul 7, 2025Updated last year
- 仿抖音,个人中心☆14Apr 14, 2020Updated 6 years ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 3 years ago
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- 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.
- ☆13Nov 9, 2025Updated 11 months ago
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆14May 21, 2024Updated 2 years ago
- User-friendly Freeware for Determining the Concentration of Electrolyte Components in Lithium-Ion Cells Using Fourier Transform Infrared …☆15Dec 8, 2022Updated 3 years ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆37Sep 3, 2024Updated 2 years ago
- ☆13Feb 1, 2025Updated last year
- 自研量化交易系统,量化宇宙。☆15Mar 29, 2026Updated 7 months ago
- Supporting code for the paper "Discovering senolytics with deep learning"☆18Apr 24, 2023Updated 3 years ago
- ☆12Oct 6, 2022Updated 4 years ago
- Free open reference implementation of a two-phase PEM fuel cell model☆13Dec 4, 2020Updated 5 years ago
- 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.
- ☆32Sep 1, 2026Updated 2 months ago
- ☆15May 17, 2024Updated 2 years ago
- A physics-aware multi-agent LLM framework for accelerating the material science discovery and optimization☆27Feb 4, 2025Updated last year
- DuBE: Duple-balanced Ensemble Learning from Skewed Data☆10Oct 31, 2022Updated 4 years ago
- Using arduino to perform most functions of a basic BMS such as SOC, SOH estimation, passive cell balancing and remote monitoring of batte…☆11Dec 2, 2023Updated 2 years ago
- A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes☆64Nov 27, 2025Updated 11 months ago
- Intelligent voice-controlled SolidWorks automation powered by Claude AI, local Whisper STT, vector memory (Qdrant + Nomic), and a native …☆10Feb 16, 2026Updated 8 months ago
- ☆19Apr 30, 2021Updated 5 years ago
- Benchmark of crystal structure prediction algorithms☆16Jun 9, 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.
- For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …☆22May 11, 2023Updated 3 years ago
- ☆13Feb 14, 2022Updated 4 years ago
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆24Mar 30, 2022Updated 4 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆20Dec 8, 2020Updated 5 years ago
- Fast Molecular Property Prediction with mordredcommunity☆63Dec 12, 2025Updated 10 months ago
- A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…☆26Oct 24, 2023Updated 3 years ago
- BatteryBERT: A Pre-trained Language Model for Battery Database Enhancement☆38Sep 6, 2022Updated 4 years ago