Publication-quality molecular graphics.
☆393Mar 23, 2026Updated last week
Alternatives and similar repositories for xyzrender
Users that are interested in xyzrender are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Multi-Task Generative model for Structure-Based Drug Design☆61Updated this week
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆10Sep 23, 2024Updated last year
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- Modular computation tool chain library☆22Mar 4, 2026Updated 3 weeks ago
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆20Aug 15, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated 2 weeks ago
- A lightweight script to make vector images of molecules☆18Oct 17, 2025Updated 5 months ago
- JIT-compiled GPU kernels for quantum chemistry☆31Jan 30, 2026Updated 2 months ago
- fastsolv python package, website, and paper code☆41Aug 27, 2025Updated 7 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 years ago
- ☆30Mar 20, 2026Updated last week
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Chemical intuition for surface science in a package.☆57Mar 17, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A Python package for data-mining the QM9 dataset☆20Mar 14, 2025Updated last year
- ☆14May 15, 2024Updated last year
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated last week
- Python Suite for Advanced General Ensemble Simulations☆100Jan 30, 2026Updated last month
- Machine Learned Interatomic Potential Tools☆24Updated this week
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Jul 22, 2025Updated 8 months ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆104Nov 4, 2025Updated 4 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆66Dec 10, 2025Updated 3 months ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆32Mar 23, 2026Updated last week
- Program for revealing non-covalent interactions☆36Oct 21, 2022Updated 3 years ago
- Quantum chemistry program executor and IO standardizer (QCSchema).☆201Mar 13, 2026Updated 2 weeks ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 6 months ago
- Tokenizing Loops of Antibodies☆25Nov 23, 2025Updated 4 months ago
- ☆166Sep 11, 2024Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 3 months ago
- Mindless molecule generator in a Python package.☆40Jan 22, 2026Updated 2 months ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆98Mar 20, 2026Updated last week
- Computational Chemistry Data Management Library for Machine Learning Force Field Development☆21Mar 18, 2026Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Mar 23, 2026Updated last week
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last month
- ☆18Oct 23, 2025Updated 5 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆47Updated this week
- An easy (and fast) API for popular 3D molecular datasets!☆46Updated this week