Augmenting Polymer Datasets via Iterative Rearrangement
☆13Jun 30, 2023Updated 3 years ago
Alternatives and similar repositories for da_for_polymers
Users that are interested in da_for_polymers are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13May 13, 2022Updated 4 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆48Mar 27, 2025Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- A benchmark dataset for polymer informatics.☆103May 31, 2021Updated 5 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.
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 4 months ago
- ☆25Sep 3, 2024Updated last year
- scalable multi-fidelity machine learning☆10Jul 16, 2021Updated 5 years ago
- An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges o…☆12May 31, 2022Updated 4 years ago
- ☆26Feb 13, 2025Updated last year
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- ☆37Jul 18, 2025Updated last year
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated 2 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.
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Reinforcement learning for chemical engineering process design with Aspen Simulator.☆20Mar 8, 2023Updated 3 years ago
- ☆30May 14, 2025Updated last year
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- ☆13Jun 11, 2025Updated last year
- POINT2 Database -- POlymer INformatics Training and Testing Database based on PI1M☆30Mar 10, 2026Updated 4 months ago
- sTDA-xTB Hamiltonian for ground state☆24May 19, 2022Updated 4 years ago
- ☆14Apr 12, 2026Updated 3 months ago
- ☆13Apr 15, 2024Updated 2 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.
- Deep reinforcement learning for design of chemical engineering processes☆41Mar 7, 2023Updated 3 years ago
- Multimodal aid for mining of chemical reactions from PDFs☆39Jun 25, 2025Updated last year
- BAIT509 - Business Applications of Machine Learning☆13Feb 7, 2024Updated 2 years ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Aug 20, 2025Updated 11 months ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- ☆18Jul 10, 2026Updated 2 weeks ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 3 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆24Oct 12, 2022Updated 3 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 10 months ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Sep 1, 2025Updated 10 months ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆24Aug 4, 2023Updated 2 years ago