Script to check required packages for Schrödinger suite on Linux machine
☆13Mar 23, 2026Updated last month
Alternatives and similar repositories for linux_package_requirement
Users that are interested in linux_package_requirement are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Alchemical mutation scoring map☆10May 19, 2024Updated last year
- ☆25Oct 10, 2025Updated 6 months ago
- ☆13Nov 26, 2024Updated last year
- A tool for visualizing Martini force field simulations in VMD☆23Updated this week
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Apr 14, 2026Updated 2 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Sep 23, 2025Updated 7 months ago
- ☆16Dec 24, 2016Updated 9 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Apr 30, 2024Updated 2 years ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆30Dec 1, 2024Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year
- 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.
- From metagenomes to epitopes and beyond☆12Apr 15, 2026Updated 2 weeks ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆28Nov 28, 2024Updated last year
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- Parse a SDF file and convert it to an array of objects☆12Feb 19, 2026Updated 2 months ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆46Jun 24, 2025Updated 10 months ago
- These are the input files for MD simulation in Gromacs 5.0+☆12Apr 10, 2023Updated 3 years ago
- ☆10Feb 25, 2021Updated 5 years ago
- ☆16Apr 22, 2026Updated last week
- 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.
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 2 years ago
- A DIY Guide To BLAST Tools For Sequence Alignment☆17Aug 9, 2024Updated last year
- 一个基于TrendRader集成版的热点新闻聚合工具，支持三种推送模式和关键字过滤功能。☆41Nov 17, 2025Updated 5 months ago
- Comparative Metatranscriptomics Workflow☆10Jul 9, 2020Updated 5 years ago
- 分子シミュレーションの理論や関連するトピックをまとめたノート☆28Mar 7, 2024Updated 2 years ago
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆34Jun 3, 2025Updated 10 months ago
- A virtual guitar amp in the browser. Written at the ScotlandJS Web Audio Hack Day 2015.☆10Aug 27, 2024Updated last year
- Assorted Python Scripts to accompany the gmx analysis tools☆12Jul 16, 2019Updated 6 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A framework to build Software As A Service (SaaS) platforms for Nextflow pipelines.☆17Sep 6, 2025Updated 7 months ago
- Customer workshop materials☆19Apr 16, 2026Updated 2 weeks ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- ☆41Nov 2, 2024Updated last year
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated last month
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago