☆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:
- Force Field X development has moved to the SchniedersLab area of GitHub.☆17Oct 4, 2019Updated 6 years ago
- ☆20Feb 25, 2025Updated last year
- Reads crystallographic cif files and simulates diffraction☆78Sep 15, 2025Updated 10 months ago
- ☆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
- ☆13Jul 5, 2024Updated 2 years ago
- PyTorch implementation for "Gradient Surgery for Multi-Task Learning" https://arxiv.org/abs/2001.06782☆14Jul 6, 2020Updated 6 years ago
- ☆13Apr 8, 2025Updated last year
- Verbose implementations of LLMs architectures, techniques and research papers from scratch. Qwen..., RLHF, Multimodal, Hyperconnections..…☆15Apr 11, 2026Updated 4 months ago
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated 2 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- ☆14Mar 7, 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.
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- 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 4 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 last year
- Custom kernels in Triton language for accelerating LLMs☆27Apr 5, 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☆15Aug 17, 2024Updated last year
- 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.
- Alignment-free 3D molecular shape descriptors based on spectral and diffusion geometry. Provides tools for computing Laplace-Beltrami spe…☆11Jan 21, 2019Updated 7 years ago
- ☆14Jul 12, 2021Updated 5 years ago
- Brain and body detectors for fetal MRI developed during my PhD☆11Sep 8, 2020Updated 5 years ago
- cuda implementation of depthwise conv3d☆23Jul 14, 2021Updated 5 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 6 months ago
- 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
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆16Jul 27, 2026Updated 2 weeks 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.
- ☆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 last year
- ☆12Jun 26, 2023Updated 3 years ago
- ☆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☆58Feb 9, 2024Updated 2 years ago