☆28Jul 16, 2026Updated last month
Alternatives and similar repositories for xyzrender-webapp
Users that are interested in xyzrender-webapp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Pragmatic scripts to plot and process VASP output, mostly for MD.☆14Oct 15, 2020Updated 5 years ago
- 基于python的PLUMED的可视化界面开发☆14Jan 8, 2025Updated last year
- Machine Learning for Catalyst Design and Discovery☆20Jul 9, 2019Updated 7 years ago
- Academic Image Layout Manager☆25Updated this week
- ☆14Jul 24, 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.
- Public FSM implementation with support for ML-based potential energy surfaces☆17Jun 23, 2026Updated 2 months ago
- atomes: codeblocks dev files☆16Updated this week
- ☆15May 17, 2024Updated 2 years ago
- Publication-quality molecular graphics.☆601Aug 13, 2026Updated last month
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆27Oct 4, 2024Updated last year
- A crystal visualization tool for creating beautiful figures. Demo ⬇️☆111Aug 11, 2026Updated last month
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆20Aug 3, 2026Updated last month
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆24Jul 12, 2026Updated 2 months ago
- ☆34Jun 4, 2026Updated 3 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆23Mar 25, 2026Updated 5 months ago
- A simple X11 molecular viewer☆25Mar 22, 2026Updated 5 months ago
- CmuMD implementation for PLUMED2☆24Aug 4, 2023Updated 3 years ago
- Build slab models for crystal surfaces.☆18Jul 29, 2020Updated 6 years ago
- A python package for efficient conformer sampling for transition states☆30Updated this week
- Python package for automated transition metal complex conformer generation☆25Dec 4, 2025Updated 9 months ago
- Similarity pruning engine for conformational ensembles☆23Apr 28, 2026Updated 4 months ago
- Python tool for combining steric maps and buried-volume figures with publication-ready molecular graphics rendering from xyzrender.☆32Jul 22, 2026Updated last month
- Linear Response Method for Calculating U Values in VASP☆35Jul 24, 2025Updated last year
- 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.
- Interpretable learning for electrode-voltage prediction and design of multivalent metal-ion batteries☆11Jan 2, 2022Updated 4 years ago
- 🌟🌟CS224W Fall 2021 | Stanford 的个人学习路线🌟🌟☆31Jun 10, 2022Updated 4 years ago
- ☆115Jul 9, 2026Updated 2 months ago
- Reproduction for "Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries"☆12Mar 26, 2021Updated 5 years ago
- Internal Coordinate Analysis of Vibrational Modes from QM Calculations.☆31Jul 12, 2026Updated 2 months ago
- Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to b…☆43Sep 11, 2025Updated last year
- Direct-to-SVG small molecule drawer.☆34Feb 17, 2025Updated last year
- Quick Reaction Coordinate: normal mode displacement of transition structures☆44Jun 11, 2026Updated 3 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆58Jul 11, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- The gmx_rrcs script is designed to calculate the residues-residues contact scores (rrcs) from a trajectory file generated by GROMACS.☆18Jun 16, 2025Updated last year
- Multiwfn 驱动的计算化学波函数分析与可视化 Codex Skill 集合☆29Jul 9, 2026Updated 2 months ago
- Python code for calculation of DRT from impedance data☆14Mar 22, 2026Updated 5 months ago
- 谷歌插件，一键复制网页cookies数据，支持多种格式☆18Mar 27, 2026Updated 5 months ago
- 本仓库只做教学思路，都均在合理的范围中使用☆17Oct 3, 2025Updated 11 months ago
- On-the-fly calculation of Transport Properties☆31Updated this week
- A fragment-based molecular assembly toolkit☆52Aug 17, 2026Updated 3 weeks ago