Some books I have read
☆27Apr 18, 2019Updated 6 years ago
Alternatives and similar repositories for book
Users that are interested in book are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Schematics and diagrams that explain Artificial Intelligence☆14Dec 28, 2020Updated 5 years ago
- ☆10Mar 31, 2023Updated 3 years ago
- cp2k test☆10May 26, 2019Updated 6 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆15Updated this week
- 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
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- ☆11Oct 23, 2025Updated 5 months ago
- ☆20Aug 5, 2025Updated 8 months ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- This repository contains different code examples.☆10Aug 24, 2025Updated 7 months 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.
- 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
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- ☆16Oct 8, 2023Updated 2 years ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated last week
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago
- atomes: codeblocks dev files☆15Updated this week
- 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.
- ☆19Apr 17, 2022Updated 3 years ago
- 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 lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 3 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- Jupyter notebooks for the book "Deep Learning with Python"☆11Aug 24, 2020Updated 5 years ago
- ☆12Mar 30, 2026Updated 2 weeks ago
- Course on graph machin learning.☆12Mar 24, 2023Updated 3 years ago
- DataSet and source code for PyART☆11Nov 27, 2022Updated 3 years ago
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- Open source library to work with molecular systems☆13Apr 7, 2026Updated last week
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 9, 2026Updated last week
- 4D Genome Reconstruction and Dynamics Prediction: Maximum Entropy Based HI-C/Distance Map - Polymer Physics - Structures Method☆13Apr 7, 2026Updated last week
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆13Jul 14, 2021Updated 4 years ago
- "Graph Neural Rough Differential Equations for Traffic Forecasting", ACM TIST☆14May 23, 2022Updated 3 years ago
- ☆14Jul 24, 2023Updated 2 years ago