☆21Oct 6, 2024Updated last year
Alternatives and similar repositories for PhAI
Users that are interested in PhAI are comparing it to the libraries listed below
Sorting:
- ☆16Feb 27, 2020Updated 6 years ago
- Tutorial notebook for symmetry features in ASE☆25Nov 21, 2019Updated 6 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆62Feb 5, 2026Updated 3 weeks ago
- Reads crystallographic cif files and simulates diffraction☆73Sep 15, 2025Updated 5 months ago
- Benchmarking of 1D pattern classification networks☆10Jul 19, 2023Updated 2 years ago
- ☆12Nov 7, 2022Updated 3 years ago
- ☆12Feb 6, 2026Updated 3 weeks ago
- Canonical normalizing flows☆10Apr 30, 2019Updated 6 years ago
- Simple tutorial to get familiar with how to program quantum computers using Qiskit☆11Sep 9, 2019Updated 6 years ago
- Code used in Tiukhova et al. (2022). Influencer Detection with Dynamic Graph Neural Networks. TGL@Neurips 2022.☆11Feb 9, 2023Updated 3 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated last year
- C extension for Python, calculates the permanent☆10Oct 28, 2024Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- 3D_Molecular_Generation☆106Nov 23, 2024Updated last year
- ☆11Jan 21, 2019Updated 7 years ago
- Topological Evaluation of Quantum Information☆11Dec 13, 2021Updated 4 years ago
- Code for the paper Normalizing Flows are Capable Models for RL☆18Jun 3, 2025Updated 9 months ago
- A quick realization of the quantum circuit of a matrix product state.☆11Aug 23, 2023Updated 2 years ago
- ☆20Feb 13, 2026Updated 2 weeks ago
- TPS Tutorial FOR1807☆10Feb 22, 2018Updated 8 years ago
- Batched routines (BLAS, LAPACK, etc.) for multi-dimensional arrays☆12Apr 10, 2022Updated 3 years ago
- This is the official implementation of "Motif-based Graph Representation Learning with Application to Chemical Molecules".☆11Feb 10, 2023Updated 3 years ago
- ☆12Jul 5, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated last year
- Neural network decoder for large distance toric code☆12Oct 25, 2019Updated 6 years ago
- Groundstate Reconstructive Energies using Neural Autoregressive Distribution Estimators (GreNADE)☆10Apr 1, 2022Updated 3 years ago
- ☆13Dec 14, 2023Updated 2 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- Sample implementations of TRG, HOTRG, ATRG, BTRG☆13Apr 12, 2022Updated 3 years ago
- ☆14Mar 7, 2024Updated last year
- ☆12Feb 15, 2026Updated 2 weeks ago
- Public repository of Google Colab notebooks to use with Phenix☆12Mar 19, 2025Updated 11 months ago
- Unsupervised machine learning of phase of matter in physics☆10Feb 12, 2017Updated 9 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Sep 22, 2025Updated 5 months ago
- ☆11Dec 28, 2023Updated 2 years ago
- variational free-energy of dense hydrogen☆14Sep 25, 2023Updated 2 years ago
- physics meets neural networks☆13Jul 19, 2018Updated 7 years ago
- ☆11Mar 13, 2021Updated 4 years ago
- Dump a quantum circuit in Yao to a tensor network graphical model☆11Dec 11, 2020Updated 5 years ago