☆49May 7, 2019Updated 6 years ago
Alternatives and similar repositories for MachineLearningMath
Users that are interested in MachineLearningMath are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- QR Code Generator for GitHub Actions.☆11May 1, 2025Updated 11 months ago
- ☆12Jul 15, 2022Updated 3 years ago
- Resources associated with "A multimodal cell census and atlas of the mammalian primary motor cortex"☆21Jul 16, 2021Updated 4 years ago
- 1000 Genomes Project Metadata R Package☆21Oct 27, 2025Updated 5 months ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Schematics and diagrams that explain Artificial Intelligence☆14Dec 28, 2020Updated 5 years ago
- TensorFlow™ 是一个用于人工智能的开源神器，一个采用数据流图（data flow graphs），用于数值计算的开源软件库。节点（Nodes）在图中表示数学操作，图中的线（edges）则表示在节点间相互联系的多维数据数组，即张量（tensor）。它灵活的架构让你可…☆12Apr 25, 2018Updated 7 years ago
- ☆18Sep 30, 2025Updated 6 months ago
- Accepted at KDD2019, Oral presentation☆23Mar 14, 2025Updated last year
- cp2k test☆10May 26, 2019Updated 6 years ago
- 收集高质量值得一读的书籍 📚 在线阅读👉☆37Apr 19, 2020Updated 6 years ago
- 涵盖基础的EDA及核心特征代码，线上成绩0.692☆15Jul 28, 2020Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 5 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- CN-Learn☆30Jan 24, 2020Updated 6 years ago
- 跨语言调用C++动态库☆11Feb 17, 2022Updated 4 years ago
- Cellsnake tool main repo☆36Feb 22, 2024Updated 2 years ago
- Using the Great Lakes cluster and batch computing with SLURM☆28Feb 15, 2022Updated 4 years ago
- ☆11Oct 23, 2025Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆20Aug 5, 2025Updated 8 months ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated 10 months ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 2 weeks ago
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 5 years ago
- Code repository of Machine Learning for Quantum Chemistry book☆10Jun 5, 2023Updated 2 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Urllib Demo☆15May 30, 2020Updated 5 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A public repo for a docker image to speed up docker tests for Pipenv.☆12Sep 23, 2018Updated 7 years ago
- ☆16Oct 8, 2023Updated 2 years ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 2 weeks ago
- atomes: codeblocks dev files☆15Updated this week
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12May 7, 2025Updated 11 months ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated last year
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 3 years ago