☆22Oct 6, 2024Updated last year
Alternatives and similar repositories for PhAI
Users that are interested in PhAI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data processing for serial crystallography☆16Sep 10, 2026Updated last week
- Benchmark problems of GPU computing of phase-field models☆14Oct 26, 2022Updated 3 years ago
- Reads crystallographic cif files and simulates diffraction☆78Sep 15, 2025Updated last year
- ☆16Feb 27, 2020Updated 6 years ago
- ☆12Oct 9, 2024Updated last year
- 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.
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- ☆12Jul 5, 2024Updated 2 years ago
- ☆14Apr 8, 2025Updated last year
- Tutorial notebook for symmetry features in ASE☆27Nov 21, 2019Updated 6 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated 4 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Functions for analysis of high resolution electron microscopy and spectroscopy data.☆23May 1, 2026Updated 4 months ago
- ☆15May 13, 2024Updated 2 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The present study is finalised to determine the most advanced models in the literature capable of producing new high-quality molecules st…☆10Aug 31, 2021Updated 5 years ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- ☆53Oct 27, 2022Updated 3 years ago
- Benchmarking of 1D pattern classification networks☆11Jul 19, 2023Updated 3 years ago
- few-shot compound activity regression☆12Aug 19, 2024Updated 2 years ago
- JAX tutorials for PyTorch users☆14Feb 18, 2023Updated 3 years ago
- CPSign - an open source modeling software made for QSAR, written in Java☆15Sep 9, 2026Updated 2 weeks ago
- Brain and body detectors for fetal MRI developed during my PhD☆11Sep 8, 2020Updated 6 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆72Feb 5, 2026Updated 7 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- springboot+uploadifive+qiniuyun 写的一个图床网站,页面布局仿照SM.MS... [SpringBoot入门项目]☆10Jul 3, 2017Updated 9 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆22Nov 2, 2023Updated 2 years ago
- Chinese Notes: A digital library for classical and historic Chinese texts with built in dictionary and reader☆29Updated this week
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- ☆11Dec 28, 2023Updated 2 years ago
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆18Feb 11, 2025Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆52Sep 23, 2024Updated 2 years ago
- ☆12Jun 26, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Apr 14, 2022Updated 4 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆18Nov 29, 2022Updated 3 years ago
- MDM☆59Feb 9, 2024Updated 2 years ago
- ☆27Aug 5, 2026Updated last month
- Pocket dynamics analysis tool☆18Sep 9, 2026Updated 2 weeks ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- Public repository of Google Colab notebooks to use with Phenix☆12Mar 19, 2025Updated last year