TFN layers built using Tensorflow 2
☆15Jul 15, 2021Updated 4 years ago
Alternatives and similar repositories for tensor-field-networks
Users that are interested in tensor-field-networks are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A trivial demo of chemical regioselectivity prediction via machine learning☆14May 22, 2024Updated 2 years ago
- J. Comp. Chem. 2020, 41, 790-799☆12Nov 21, 2019Updated 6 years ago
- MoonDAO documentation, planning, project notes, and other reference material.☆11Apr 21, 2026Updated last month
- A package for density functional approximation using machine learning.☆27Sep 18, 2020Updated 5 years ago
- Examples for the freud library.☆14Apr 20, 2026Updated last month
- 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.
- Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning☆13Jul 5, 2023Updated 2 years ago
- For advanced physics-driven combined with neural network enhancement force field.☆18Mar 9, 2026Updated 2 months ago
- An implementation of ARMCI using MPI one-sided communication (RMA)☆17Oct 28, 2025Updated 7 months ago
- An Obsidian plugin for web3 composition☆14Oct 28, 2024Updated last year
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated 11 months ago
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 3 years ago
- ☆18Jul 6, 2023Updated 2 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- [AAAI 2024] Official repository for "Rethinking Dimensional Rationale in Graph Contrastive Learning from Causal Perspective"☆14Dec 8, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆37Nov 23, 2025Updated 6 months ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 5 months ago
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated 11 months ago
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆11Jun 2, 2022Updated 3 years ago
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆12Sep 10, 2025Updated 8 months ago
- De novo drug design with deep interactome learning☆21Mar 19, 2026Updated 2 months ago
- CLI util: Poor man's rpath for Windows executables.☆12Dec 16, 2018Updated 7 years ago
- A reinforcement learning library for material and molecule optimization☆33Apr 4, 2024Updated 2 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 6 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated 8 months ago
- Atom2Vec: a simple way to describe atoms for machine learning☆38Feb 23, 2024Updated 2 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.☆16Feb 10, 2021Updated 5 years ago
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Jul 28, 2021Updated 4 years ago
- Electron-passing neural networks for charge partitioning in quantum chemistry☆10Dec 21, 2022Updated 3 years ago
- OPUS-Rota4: A Gradient-Based Protein Side-Chain Modeling Framework Assisted by Deep Learning-Based Predictors☆11Apr 14, 2022Updated 4 years ago
- Antibody structure prediction☆37Dec 16, 2025Updated 5 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- DEPRECATED — migrated to isayevlab/aimnetcentral☆170Apr 11, 2026Updated last month
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆15Jan 12, 2021Updated 5 years ago
- Atoms In Molecules Neural Network Potential☆108Nov 21, 2019Updated 6 years ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆43May 6, 2026Updated 3 weeks ago
- Extended XYZ specification and parsers☆26Apr 30, 2026Updated 3 weeks ago
- Diffusion model for transition state prediction☆47Nov 30, 2023Updated 2 years ago